6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine

C13H13N7S — CID 22542797

IUPAC6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCc2cccnc2)ncnc1Nc1nccs1
InChIInChI=1S/C13H13N7S/c14-10-11(17-7-9-2-1-3-15-6-9)18-8-19-12(10)20-13-16-4-5-21-13/h1-6,8H,7,14H2,(H2,16,17,18,19,20)
InChIKeyXQOOPTGARJPTTR-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.27
Rot. Bonds5

About 6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine

6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (PubChem CID 22542797) has the molecular formula C13H13N7S and a molecular weight of 299.36 g/mol. Its IUPAC name is 6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
PubChem CID22542797
Molecular FormulaC13H13N7S
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC Name6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCc2cccnc2)ncnc1Nc1nccs1
InChIInChI=1S/C13H13N7S/c14-10-11(17-7-9-2-1-3-15-6-9)18-8-19-12(10)20-13-16-4-5-21-13/h1-6,8H,7,14H2,(H2,16,17,18,19,20)
InChIKeyXQOOPTGARJPTTR-UHFFFAOYSA-N
XLogP2.27
TPSA101.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19147571
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542701
6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135239
6-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542878
4-N,4-N-dimethyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542727
6-N-(2-methoxyethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542825
methyl 4-[[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 22542814
6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19134848
N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19147596
4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542762
N-(2-pyridin-3-ylethyl)-1,3-thiazol-2-amine
CID 60754112

Frequently Asked Questions

What is the IUPAC name of 6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (CID 22542797) is 6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is Nc1c(NCc2cccnc2)ncnc1Nc1nccs1.
What is the InChIKey of 6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The InChIKey is XQOOPTGARJPTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7S/c14-10-11(17-7-9-2-1-3-15-6-9)18-8-19-12(10)20-13-16-4-5-21-13/h1-6,8H,7,14H2,(H2,16,17,18,19,20).
What are the key properties of 6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine has a molecular weight of 299.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22542797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).