6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile

C10H12N4S — CID 107545432

IUPAC6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CCSC2)n1
InChIInChI=1S/C10H12N4S/c1-7-4-9(5-11)14-10(12-7)13-8-2-3-15-6-8/h4,8H,2-3,6H2,1H3,(H,12,13,14)
InChIKeyHTTKAJSAFCWSSW-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.57
Rot. Bonds2

About 6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile

6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile (PubChem CID 107545432) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile
PubChem CID107545432
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CCSC2)n1
InChIInChI=1S/C10H12N4S/c1-7-4-9(5-11)14-10(12-7)13-8-2-3-15-6-8/h4,8H,2-3,6H2,1H3,(H,12,13,14)
InChIKeyHTTKAJSAFCWSSW-UHFFFAOYSA-N
XLogP1.57
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545212
2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107545041
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107545039
2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552012
2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552420
2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545210
2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544744
4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine
CID 103064279
6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile
CID 107544746
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile
CID 107544308
2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061743
2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552758

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile (CID 107545432) is 6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NC2CCSC2)n1.
What is the InChIKey of 6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile?
The InChIKey is HTTKAJSAFCWSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7-4-9(5-11)14-10(12-7)13-8-2-3-15-6-8/h4,8H,2-3,6H2,1H3,(H,12,13,14).
What are the key properties of 6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile?
6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile has a molecular weight of 220.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).