5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one

C14H18N4O — CID 135709693

IUPAC5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one
SMILESCCCCc1ccc(Nc2nc[nH]c(=O)c2N)cc1
InChIInChI=1S/C14H18N4O/c1-2-3-4-10-5-7-11(8-6-10)18-13-12(15)14(19)17-9-16-13/h5-9H,2-4,15H2,1H3,(H2,16,17,18,19)
InChIKeyCNARXTWKBCKIJS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.44
Rot. Bonds5

About 5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one

5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one (PubChem CID 135709693) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one
PubChem CID135709693
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one
SMILESCCCCc1ccc(Nc2nc[nH]c(=O)c2N)cc1
InChIInChI=1S/C14H18N4O/c1-2-3-4-10-5-7-11(8-6-10)18-13-12(15)14(19)17-9-16-13/h5-9H,2-4,15H2,1H3,(H2,16,17,18,19)
InChIKeyCNARXTWKBCKIJS-UHFFFAOYSA-N
XLogP2.44
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylbenzenesulfonamide
CID 135568319
6-N-butyl-4-N-(4-butylphenyl)pyrimidine-4,5,6-triamine
CID 22539974
methyl 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]benzoate
CID 135575665
4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80780181
6-N-(4-butylphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 22540135
6-N-(4-butylphenyl)-4-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine
CID 22540062
6-N-(4-butylphenyl)-4-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22540036
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 22540106
5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 135575672
6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22540147
5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one
CID 136974016

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one (CID 135709693) is 5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one is CCCCc1ccc(Nc2nc[nH]c(=O)c2N)cc1.
What is the InChIKey of 5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one?
The InChIKey is CNARXTWKBCKIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-3-4-10-5-7-11(8-6-10)18-13-12(15)14(19)17-9-16-13/h5-9H,2-4,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one?
5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135709693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).