6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine

C14H22ClN3 — CID 113471962

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine
SMILESCCCC(C)(C)Nc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C14H22ClN3/c1-5-8-14(3,4)18-12-9(2)11(15)16-13(17-12)10-6-7-10/h10H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyKITLFQIIPYPQKS-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.31
Rot. Bonds5

About 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine (PubChem CID 113471962) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine
PubChem CID113471962
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine
SMILESCCCC(C)(C)Nc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C14H22ClN3/c1-5-8-14(3,4)18-12-9(2)11(15)16-13(17-12)10-6-7-10/h10H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyKITLFQIIPYPQKS-UHFFFAOYSA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80978642
6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 106194712
6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414813
methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80970316
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80971290
6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194508
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80971282
2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 106196538
6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80970322
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80995092
6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 80972164
3-[2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83112926

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine (CID 113471962) is 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine is CCCC(C)(C)Nc1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine?
The InChIKey is KITLFQIIPYPQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-5-8-14(3,4)18-12-9(2)11(15)16-13(17-12)10-6-7-10/h10H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine has a molecular weight of 267.80 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 113471962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).