ethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one

C29H49N5O2 — CID 144931190

IUPACethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one
SMILESC/C=C\C1=C(CC)N(CC(/C=C\C)=C/C)C(C)(C)N(C)C1=O.CC.CC.O=c1[nH]c2c([nH]1)NCC=C2
InChIInChI=1S/C19H30N2O.C6H7N3O.2C2H6/c1-8-12-15(10-3)14-21-17(11-4)16(13-9-2)18(22)20(7)19(21,5)6;10-6-8-4-2-1-3-7-5(4)9-6;2*1-2/h8-10,12-13H,11,14H2,1-7H3;1-2,7H,3H2,(H2,8,9,10);2*1-2H3/b12-8-,13-9-,15-10+;;;
InChIKeyARHHAEBTFLSWIX-OVTJEOAFSA-N
MW499.74 g/mol
LogP6.45
Rot. Bonds5

About ethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one

ethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one (PubChem CID 144931190) has the molecular formula C29H49N5O2 and a molecular weight of 499.74 g/mol. Its IUPAC name is ethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Nameethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one
PubChem CID144931190
Molecular FormulaC29H49N5O2
Molecular Weight499.74 g/mol
Exact Mass499.39
IUPAC Nameethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one
SMILESC/C=C\C1=C(CC)N(CC(/C=C\C)=C/C)C(C)(C)N(C)C1=O.CC.CC.O=c1[nH]c2c([nH]1)NCC=C2
InChIInChI=1S/C19H30N2O.C6H7N3O.2C2H6/c1-8-12-15(10-3)14-21-17(11-4)16(13-9-2)18(22)20(7)19(21,5)6;10-6-8-4-2-1-3-7-5(4)9-6;2*1-2/h8-10,12-13H,11,14H2,1-7H3;1-2,7H,3H2,(H2,8,9,10);2*1-2H3/b12-8-,13-9-,15-10+;;;
InChIKeyARHHAEBTFLSWIX-OVTJEOAFSA-N
XLogP6.45
TPSA84.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.74
LogP ≤ 56.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

2,4-diamino-1-[1-(dimethylamino)propyl]-6-oxo-N-propylpyridine-3-carboxamide;N-methylmethanamine
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(E)-N-(3-aminopropyl)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
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(E)-N-[2-(tert-butylamino)ethyl]-3-(1-tert-butyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
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2,4-diamino-N,1-bis[1-(dimethylamino)propyl]-6-oxopyridine-3-carboxamide
CID 70431193
N-(3-aminopropyl)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
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3-ethyl-5-methyl-6-(2-oxo-1H-pyridin-4-yl)-1H-pyrimidine-2,4-dione
CID 144318137
methane;(E)-3-(1-methyl-2,4-dioxopyrimidin-5-yl)-N-propylprop-2-enamide
CID 160451759
3-[(1E,3Z)-1-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-6,7-dimethyl-1,9-dihydrocyclohepta[d]pyrimidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of ethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one (CID 144931190) is ethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for ethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for ethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one is C/C=C\C1=C(CC)N(CC(/C=C\C)=C/C)C(C)(C)N(C)C1=O.CC.CC.O=c1[nH]c2c([nH]1)NCC=C2.
What is the InChIKey of ethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is ARHHAEBTFLSWIX-OVTJEOAFSA-N. The full InChI is InChI=1S/C19H30N2O.C6H7N3O.2C2H6/c1-8-12-15(10-3)14-21-17(11-4)16(13-9-2)18(22)20(7)19(21,5)6;10-6-8-4-2-1-3-7-5(4)9-6;2*1-2/h8-10,12-13H,11,14H2,1-7H3;1-2,7H,3H2,(H2,8,9,10);2*1-2H3/b12-8-,13-9-,15-10+;;;.
What are the key properties of ethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one?
ethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 499.74 g/mol, XLogP of 6.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-1-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]pyrimidin-4-one;1,3,4,5-tetrahydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 144931190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).