8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one

C16H20N4O2 — CID 145092540

IUPAC8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
SMILES[H]/N=C(C)/C(=C(/C)N)c1ccn2c(=O)c(CCC)cnc2c1O
InChIInChI=1S/C16H20N4O2/c1-4-5-11-8-19-15-14(21)12(6-7-20(15)16(11)22)13(9(2)17)10(3)18/h6-8,17,21H,4-5,18H2,1-3H3/b13-10+,17-9+
InChIKeyPIIWTPMXVFDJHP-OVZWPINUSA-N
MW300.36 g/mol
LogP2.08
Rot. Bonds4

About 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one

8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 145092540) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
PubChem CID145092540
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
SMILES[H]/N=C(C)/C(=C(/C)N)c1ccn2c(=O)c(CCC)cnc2c1O
InChIInChI=1S/C16H20N4O2/c1-4-5-11-8-19-15-14(21)12(6-7-20(15)16(11)22)13(9(2)17)10(3)18/h6-8,17,21H,4-5,18H2,1-3H3/b13-10+,17-9+
InChIKeyPIIWTPMXVFDJHP-OVZWPINUSA-N
XLogP2.08
TPSA104.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

3-butyl-9-hydroxy-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 59532554
9-Hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 21436672
9-Hydroxy-2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 57782372
9-Hydroxy-8-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 68012041
8-[(Dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 121379186
7-Ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 121384884
8-(Diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 121384926
8-Ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 130433404
8-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 145092535
8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 145092563
7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 145092566
8-(Dimethylamino)-9-hydroxy-2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 150705041

Frequently Asked Questions

What is the IUPAC name of 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one (CID 145092540) is 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one is [H]/N=C(C)/C(=C(/C)N)c1ccn2c(=O)c(CCC)cnc2c1O.
What is the InChIKey of 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PIIWTPMXVFDJHP-OVZWPINUSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-5-11-8-19-15-14(21)12(6-7-20(15)16(11)22)13(9(2)17)10(3)18/h6-8,17,21H,4-5,18H2,1-3H3/b13-10+,17-9+.
What are the key properties of 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 300.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 145092540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).