2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine

C8H9N5S — CID 116796301

IUPAC2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2nccc(N)n2)s1
InChIInChI=1S/C8H9N5S/c1-5-4-11-8(14-5)13-7-10-3-2-6(9)12-7/h2-4H,1H3,(H3,9,10,11,12,13)
InChIKeyPNHQUBORHSDWCR-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.57
Rot. Bonds2

About 2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine

2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine (PubChem CID 116796301) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine
PubChem CID116796301
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2nccc(N)n2)s1
InChIInChI=1S/C8H9N5S/c1-5-4-11-8(14-5)13-7-10-3-2-6(9)12-7/h2-4H,1H3,(H3,9,10,11,12,13)
InChIKeyPNHQUBORHSDWCR-UHFFFAOYSA-N
XLogP1.57
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile
CID 107543448
N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine
CID 88588890
5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 171688131
5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride
CID 171700358
N-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine
CID 63874751
4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059164
2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine
CID 116796248
2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine
CID 116797163
ethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 91452477
4-[(5-methyl-1,3-thiazol-2-yl)amino]phenol
CID 82059170
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
5-amino-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxamide
CID 114405171

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine (CID 116796301) is 2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine is Cc1cnc(Nc2nccc(N)n2)s1.
What is the InChIKey of 2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine?
The InChIKey is PNHQUBORHSDWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c1-5-4-11-8(14-5)13-7-10-3-2-6(9)12-7/h2-4H,1H3,(H3,9,10,11,12,13).
What are the key properties of 2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine?
2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine has a molecular weight of 207.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116796301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).