6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine

C10H13ClN6 — CID 106193158

IUPAC6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NCc2ncn[nH]2)n1
InChIInChI=1S/C10H13ClN6/c1-6(2)10-15-7(11)3-8(16-10)12-4-9-13-5-14-17-9/h3,5-6H,4H2,1-2H3,(H,12,15,16)(H,13,14,17)
InChIKeyYNJVCNADRGJMQO-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.98
Rot. Bonds4

About 6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine

6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 106193158) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID106193158
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NCc2ncn[nH]2)n1
InChIInChI=1S/C10H13ClN6/c1-6(2)10-15-7(11)3-8(16-10)12-4-9-13-5-14-17-9/h3,5-6H,4H2,1-2H3,(H,12,15,16)(H,13,14,17)
InChIKeyYNJVCNADRGJMQO-UHFFFAOYSA-N
XLogP1.98
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193170
6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106282777
6-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106193155
2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193105
6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 64532455
6-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 66327990
6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80950784
N-(2-bromoprop-2-enyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 106195614
6-chloro-2-propan-2-yl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137332
5-methyl-7-(1H-1,2,4-triazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283156
6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953834
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106137297

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine (CID 106193158) is 6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine is CC(C)c1nc(Cl)cc(NCc2ncn[nH]2)n1.
What is the InChIKey of 6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is YNJVCNADRGJMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-6(2)10-15-7(11)3-8(16-10)12-4-9-13-5-14-17-9/h3,5-6H,4H2,1-2H3,(H,12,15,16)(H,13,14,17).
What are the key properties of 6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 252.71 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106193158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).