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

C11H15ClN6 — CID 106282777

IUPAC6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NC(C)c2ncn[nH]2)n1
InChIInChI=1S/C11H15ClN6/c1-6(2)10-16-8(12)4-9(17-10)15-7(3)11-13-5-14-18-11/h4-7H,1-3H3,(H,13,14,18)(H,15,16,17)
InChIKeyDPUOENTVRVJOQE-UHFFFAOYSA-N
MW266.74 g/mol
LogP2.54
Rot. Bonds4

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

6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 106282777) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID106282777
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NC(C)c2ncn[nH]2)n1
InChIInChI=1S/C11H15ClN6/c1-6(2)10-16-8(12)4-9(17-10)15-7(3)11-13-5-14-18-11/h4-7H,1-3H3,(H,13,14,18)(H,15,16,17)
InChIKeyDPUOENTVRVJOQE-UHFFFAOYSA-N
XLogP2.54
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine with MolForge

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Related Compounds

2-tert-butyl-6-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 114168057
6-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 114168059
6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193158
6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 114168104
6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106282952
6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80953990
6-chloro-N-pent-1-yn-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 106232756
6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106283004
6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 80953528
6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954067
6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80953767
5-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 102975953

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (CID 106282777) is 6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is CC(C)c1nc(Cl)cc(NC(C)c2ncn[nH]2)n1.
What is the InChIKey of 6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is DPUOENTVRVJOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-6(2)10-16-8(12)4-9(17-10)15-7(3)11-13-5-14-18-11/h4-7H,1-3H3,(H,13,14,18)(H,15,16,17).
What are the key properties of 6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 266.74 g/mol, XLogP of 2.54, 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-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106282777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).