5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one

C14H18N4O — CID 136974372

IUPAC5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one
SMILESCCc1ccc(C(C)Nc2nc[nH]c(=O)c2N)cc1
InChIInChI=1S/C14H18N4O/c1-3-10-4-6-11(7-5-10)9(2)18-13-12(15)14(19)17-8-16-13/h4-9H,3,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyGSSKLNMPRUHZSJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.09
Rot. Bonds4

About 5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one

5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136974372) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136974372
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one
SMILESCCc1ccc(C(C)Nc2nc[nH]c(=O)c2N)cc1
InChIInChI=1S/C14H18N4O/c1-3-10-4-6-11(7-5-10)9(2)18-13-12(15)14(19)17-8-16-13/h4-9H,3,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyGSSKLNMPRUHZSJ-UHFFFAOYSA-N
XLogP2.09
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-ethylphenyl)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136974375
5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
CID 136973568
5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 137016213
5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
CID 136973977
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136979130
5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136976716
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958424
5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one
CID 137008764
5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
CID 137016260
5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 135575672
5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one
CID 135709693

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one (CID 136974372) is 5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one is CCc1ccc(C(C)Nc2nc[nH]c(=O)c2N)cc1.
What is the InChIKey of 5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is GSSKLNMPRUHZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-10-4-6-11(7-5-10)9(2)18-13-12(15)14(19)17-8-16-13/h4-9H,3,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).