(4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one

C6H11N3O — CID 70142751

IUPAC(4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one
SMILESC[C@H]1CC(=O)N(C)C(N)=N1
InChIInChI=1S/C6H11N3O/c1-4-3-5(10)9(2)6(7)8-4/h4H,3H2,1-2H3,(H2,7,8)/t4-/m0/s1
InChIKeyJCWRWGJUSXXVSO-BYPYZUCNSA-N
MW141.17 g/mol
LogP-0.45
Rot. Bonds

About (4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one

(4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one (PubChem CID 70142751) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name(4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one
PubChem CID70142751
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one
SMILESC[C@H]1CC(=O)N(C)C(N)=N1
InChIInChI=1S/C6H11N3O/c1-4-3-5(10)9(2)6(7)8-4/h4H,3H2,1-2H3,(H2,7,8)/t4-/m0/s1
InChIKeyJCWRWGJUSXXVSO-BYPYZUCNSA-N
XLogP-0.45
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4(1H)-Pyrimidinone, tetrahydro-2-imino-6-methyl-
CID 97863
2-Amino-3-methyl-5,6-dihydropyrimidin-4(3h)-one
CID 54484269
(4R)-2-amino-1-methyl-4-(trifluoromethyl)-4,5-dihydropyrimidin-6-one
CID 68215093
2-amino-5-fluoro-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 118554429
2-Amino-1-methyl-5,6-dihydropyrimidin-4(1H)-one
CID 159199
1,4-Dimethyl-4,5-dihydropyrimidin-6-one
CID 69072650
2-Amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one
CID 77783757
(4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 92532667
2-(4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine
CID 121358404
6-ethyl-2-imino-3-methyl-tetrahydropyrimidin-4 (1H)-one
CID 131731835
1,4-dimethyl-6-oxo-tetrahydropyrimidin-2(1H)-ylidenecarbamate
CID 131731836
2-amino-1,4,5,5-tetramethyl-4H-pyrimidin-6-one
CID 140218361

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of (4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one (CID 70142751) is (4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for (4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for (4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one is C[C@H]1CC(=O)N(C)C(N)=N1.
What is the InChIKey of (4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one?
The InChIKey is JCWRWGJUSXXVSO-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4-3-5(10)9(2)6(7)8-4/h4H,3H2,1-2H3,(H2,7,8)/t4-/m0/s1.
What are the key properties of (4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one?
(4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one has a molecular weight of 141.17 g/mol, XLogP of -0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 70142751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).