5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

C18H21N5O3 — CID 39739866

IUPAC5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCCCCc1c(O)nc(Nc2nc(C)c3ccc(OC)cc3n2)[nH]c1=O
InChIInChI=1S/C18H21N5O3/c1-4-5-6-13-15(24)21-18(22-16(13)25)23-17-19-10(2)12-8-7-11(26-3)9-14(12)20-17/h7-9H,4-6H2,1-3H3,(H3,19,20,21,22,23,24,25)
InChIKeyVBHAUURLMMHLDM-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.82
Rot. Bonds6

About 5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 39739866) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID39739866
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCCCCc1c(O)nc(Nc2nc(C)c3ccc(OC)cc3n2)[nH]c1=O
InChIInChI=1S/C18H21N5O3/c1-4-5-6-13-15(24)21-18(22-16(13)25)23-17-19-10(2)12-8-7-11(26-3)9-14(12)20-17/h7-9H,4-6H2,1-3H3,(H3,19,20,21,22,23,24,25)
InChIKeyVBHAUURLMMHLDM-UHFFFAOYSA-N
XLogP2.82
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (CID 39739866) is 5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is CCCCc1c(O)nc(Nc2nc(C)c3ccc(OC)cc3n2)[nH]c1=O.
What is the InChIKey of 5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is VBHAUURLMMHLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-4-5-6-13-15(24)21-18(22-16(13)25)23-17-19-10(2)12-8-7-11(26-3)9-14(12)20-17/h7-9H,4-6H2,1-3H3,(H3,19,20,21,22,23,24,25).
What are the key properties of 5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 355.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 39739866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).