4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide

C10H14N4OS — CID 116648082

IUPAC4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide
SMILESCc1nc(C2CCCS2)nc(N)c1C(N)=O
InChIInChI=1S/C10H14N4OS/c1-5-7(9(12)15)8(11)14-10(13-5)6-3-2-4-16-6/h6H,2-4H2,1H3,(H2,12,15)(H2,11,13,14)
InChIKeyLTZQTTQKWGWPCZ-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.03
Rot. Bonds2

About 4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide

4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide (PubChem CID 116648082) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide
PubChem CID116648082
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide
SMILESCc1nc(C2CCCS2)nc(N)c1C(N)=O
InChIInChI=1S/C10H14N4OS/c1-5-7(9(12)15)8(11)14-10(13-5)6-3-2-4-16-6/h6H,2-4H2,1H3,(H2,12,15)(H2,11,13,14)
InChIKeyLTZQTTQKWGWPCZ-UHFFFAOYSA-N
XLogP1.03
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide
CID 116648065
4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carboxamide
CID 116648063
4-amino-2-cyclobutyl-6-methylpyrimidine-5-carboxylic acid
CID 116647337
4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid
CID 116647411
4-methyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423151
ethyl 4-amino-2-(thiolan-2-yl)pyrimidine-5-carboxylate
CID 116646799
4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide
CID 116648134
2-methyl-4-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 115037360
4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine
CID 83083671
5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80638975
N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine
CID 80637259
4-amino-6-methyl-2-(methylamino)pyrimidine-5-carboxamide
CID 116648121

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide (CID 116648082) is 4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide is Cc1nc(C2CCCS2)nc(N)c1C(N)=O.
What is the InChIKey of 4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide?
The InChIKey is LTZQTTQKWGWPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-5-7(9(12)15)8(11)14-10(13-5)6-3-2-4-16-6/h6H,2-4H2,1H3,(H2,12,15)(H2,11,13,14).
What are the key properties of 4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide?
4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide has a molecular weight of 238.32 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-(thiolan-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 116648082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).