2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

C12H15N5S — CID 80959620

IUPAC2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2cscn2)nc(C2CC2)n1
InChIInChI=1S/C12H15N5S/c1-13-10-4-11(14-5-9-6-18-7-15-9)17-12(16-10)8-2-3-8/h4,6-8H,2-3,5H2,1H3,(H2,13,14,16,17)
InChIKeyKSTPBQMEVCWGLQ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.46
Rot. Bonds5

About 2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80959620) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80959620
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2cscn2)nc(C2CC2)n1
InChIInChI=1S/C12H15N5S/c1-13-10-4-11(14-5-9-6-18-7-15-9)17-12(16-10)8-2-3-8/h4,6-8H,2-3,5H2,1H3,(H2,13,14,16,17)
InChIKeyKSTPBQMEVCWGLQ-UHFFFAOYSA-N
XLogP2.46
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 115915607
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65274563
2-N,6-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845473
6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80949872
4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80967316
1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967408
2-cyclopropyl-6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 80964428
2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80957330
2-cyclopropyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967552
2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80934774
5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 115914406
2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80967531

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (CID 80959620) is 2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is CNc1cc(NCc2cscn2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is KSTPBQMEVCWGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-13-10-4-11(14-5-9-6-18-7-15-9)17-12(16-10)8-2-3-8/h4,6-8H,2-3,5H2,1H3,(H2,13,14,16,17).
What are the key properties of 2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 261.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80959620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).