6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine

C13H20ClN3 — CID 80950847

IUPAC6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
SMILESCC(C)C(C)CNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H20ClN3/c1-8(2)9(3)7-15-12-6-11(14)16-13(17-12)10-4-5-10/h6,8-10H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyCABYQIQISACAGP-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.71
Rot. Bonds5

About 6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine (PubChem CID 80950847) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
PubChem CID80950847
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
SMILESCC(C)C(C)CNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H20ClN3/c1-8(2)9(3)7-15-12-6-11(14)16-13(17-12)10-4-5-10/h6,8-10H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyCABYQIQISACAGP-UHFFFAOYSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine
CID 80951077
3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80951466
6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114406
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311
6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 104952861
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953399
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
CID 106842916
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 80950737

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine (CID 80950847) is 6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine is CC(C)C(C)CNc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine?
The InChIKey is CABYQIQISACAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-8(2)9(3)7-15-12-6-11(14)16-13(17-12)10-4-5-10/h6,8-10H,4-5,7H2,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.71, 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-N-(2,3-dimethylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 80950847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).