6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione

C22H28N4O4 — CID 55499123

IUPAC6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CC)Cc2cc(=O)oc3cc(CC)ccc23)c(=O)[nH]c1=O
InChIInChI=1S/C22H28N4O4/c1-4-7-10-26-20(23)19(21(28)24-22(26)29)25(6-3)13-15-12-18(27)30-17-11-14(5-2)8-9-16(15)17/h8-9,11-12H,4-7,10,13,23H2,1-3H3,(H,24,28,29)
InChIKeyQRMBHBGLUWNWEQ-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.61
Rot. Bonds8

About 6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione (PubChem CID 55499123) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione
PubChem CID55499123
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CC)Cc2cc(=O)oc3cc(CC)ccc23)c(=O)[nH]c1=O
InChIInChI=1S/C22H28N4O4/c1-4-7-10-26-20(23)19(21(28)24-22(26)29)25(6-3)13-15-12-18(27)30-17-11-14(5-2)8-9-16(15)17/h8-9,11-12H,4-7,10,13,23H2,1-3H3,(H,24,28,29)
InChIKeyQRMBHBGLUWNWEQ-UHFFFAOYSA-N
XLogP2.61
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-butyl-5-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl-ethylamino]pyrimidine-2,4-dione
CID 29467659
6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
CID 110009359
6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione
CID 18136975
3-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-4-fluorobenzonitrile
CID 24595641
6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 34653306
6-amino-5-[2,1,3-benzothiadiazol-4-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione
CID 75383466
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-methylfuran-2-carboxamide
CID 18077285
6-amino-5-[benzyl-[(4-nitrophenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 33411212
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 18136980
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-benzofuran-2-carboxamide
CID 8838834
6-amino-1-butyl-5-[ethyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]pyrimidine-2,4-dione
CID 78834984
3-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]methyl]benzoic acid
CID 122120057

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione (CID 55499123) is 6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(CC)Cc2cc(=O)oc3cc(CC)ccc23)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione?
The InChIKey is QRMBHBGLUWNWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-4-7-10-26-20(23)19(21(28)24-22(26)29)25(6-3)13-15-12-18(27)30-17-11-14(5-2)8-9-16(15)17/h8-9,11-12H,4-7,10,13,23H2,1-3H3,(H,24,28,29).
What are the key properties of 6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione has a molecular weight of 412.49 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 55499123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).