2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide

C14H24N4O2S — CID 135530234

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O2S/c1-9(2)6-18(7-10(3)4)13(20)8-21-14-16-11(15)5-12(19)17-14/h5,9-10H,6-8H2,1-4H3,(H3,15,16,17,19)
InChIKeyCJOSEIBNPMMQLY-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.58
Rot. Bonds7

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 135530234) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide
PubChem CID135530234
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O2S/c1-9(2)6-18(7-10(3)4)13(20)8-21-14-16-11(15)5-12(19)17-14/h5,9-10H,6-8H2,1-4H3,(H3,15,16,17,19)
InChIKeyCJOSEIBNPMMQLY-UHFFFAOYSA-N
XLogP1.58
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide
CID 135473666
4-amino-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135490319
N,N-diethyl-2-[(4-hydroxy-6-methoxypyrimidin-2-yl)sulfanyl]acetamide
CID 799973
N-tert-butyl-2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135449566
N-tert-butyl-2-[(1-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135403382
4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 135447069
2-(6-Amino-4-hydroxypyrimidin-2-ylthio)-1-piperidylethan-1-one
CID 135447409
4-amino-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135457190
2-(4,6-dihydroxypyrimidin-2-ylthio)-N,N-diethylacetamide
CID 711681
2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 16332186
2-((4-amino-6-hydroxypyrimidin-2-yl)thio)-N,N-diethylacetamide
CID 135410824
N,N-diethyl-2-(4-hydroxy-6-methylpyrimidin-2-ylthio)acetamide
CID 135426208

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide (CID 135530234) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)CSc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is CJOSEIBNPMMQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-9(2)6-18(7-10(3)4)13(20)8-21-14-16-11(15)5-12(19)17-14/h5,9-10H,6-8H2,1-4H3,(H3,15,16,17,19).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 135530234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).