6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine

C12H18ClN3 — CID 80948003

IUPAC6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)Nc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C12H18ClN3/c1-3-9(4-2)14-11-7-10(13)15-12(16-11)8-5-6-8/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyKVIINRNTGSJTCB-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.61
Rot. Bonds5

About 6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine

6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine (PubChem CID 80948003) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
PubChem CID80948003
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)Nc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C12H18ClN3/c1-3-9(4-2)14-11-7-10(13)15-12(16-11)8-5-6-8/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyKVIINRNTGSJTCB-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80950968
6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine
CID 80950895
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide
CID 133420673
6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80944320
3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80951466
6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 80950847
6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 80953868
2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
CID 80968993
6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine
CID 80951077
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067
6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
CID 133421183
6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80953581

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine (CID 80948003) is 6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine is CCC(CC)Nc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine?
The InChIKey is KVIINRNTGSJTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-3-9(4-2)14-11-7-10(13)15-12(16-11)8-5-6-8/h7-9H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine has a molecular weight of 239.75 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-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 80948003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).