6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine

C13H18ClN3 — CID 103880293

IUPAC6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine
SMILESCCCC1CC1Nc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H18ClN3/c1-2-3-9-6-10(9)15-12-7-11(14)16-13(17-12)8-4-5-8/h7-10H,2-6H2,1H3,(H,15,16,17)
InChIKeyFLTGKNGYWDWMPR-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.61
Rot. Bonds5

About 6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine (PubChem CID 103880293) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine
PubChem CID103880293
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine
SMILESCCCC1CC1Nc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H18ClN3/c1-2-3-9-6-10(9)15-12-7-11(14)16-13(17-12)8-4-5-8/h7-10H,2-6H2,1H3,(H,15,16,17)
InChIKeyFLTGKNGYWDWMPR-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine
CID 80951663
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
2-fluoro-6-methyl-N-(2-propylcyclopropyl)pyrimidin-4-amine
CID 164645870
2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 103713551
6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103880252
6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine
CID 80950895
ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 133420616
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide
CID 133421681
6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80950968
6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine
CID 133421904
6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948882
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine (CID 103880293) is 6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine is CCCC1CC1Nc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine?
The InChIKey is FLTGKNGYWDWMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-2-3-9-6-10(9)15-12-7-11(14)16-13(17-12)8-4-5-8/h7-10H,2-6H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine has a molecular weight of 251.76 g/mol, XLogP of 3.61, 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-propylcyclopropyl)pyrimidin-4-amine is sourced from PubChem (CID 103880293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).