4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one

C8H13N3O — CID 135991796

IUPAC4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1c(N)nc[nH]c1=O
InChIInChI=1S/C8H13N3O/c1-5(2)3-6-7(9)10-4-11-8(6)12/h4-5H,3H2,1-2H3,(H3,9,10,11,12)
InChIKeyHZYVTLFAJGYWEV-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.55
Rot. Bonds2

About 4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one

4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 135991796) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID135991796
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1c(N)nc[nH]c1=O
InChIInChI=1S/C8H13N3O/c1-5(2)3-6-7(9)10-4-11-8(6)12/h4-5H,3H2,1-2H3,(H3,9,10,11,12)
InChIKeyHZYVTLFAJGYWEV-UHFFFAOYSA-N
XLogP0.55
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide
CID 135741768
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
2-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260668
4-propan-2-yl-5-propyl-1H-pyrimidin-6-one
CID 136692838
5-(2-methylpropyl)-1H-imidazol-4-ol
CID 57091779
5-(1H-imidazol-5-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 165499967
5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
CID 137016260
5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136912678
5-chloro-4-(1-fluoroethyl)-1H-pyrimidin-6-one
CID 135440522
4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one
CID 135433439
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one (CID 135991796) is 4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one is CC(C)Cc1c(N)nc[nH]c1=O.
What is the InChIKey of 4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is HZYVTLFAJGYWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)3-6-7(9)10-4-11-8(6)12/h4-5H,3H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one?
4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135991796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).