N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine

C15H24ClN3 — CID 80953088

IUPACN-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine
SMILESCCCCN(c1cc(Cl)nc(C2CC2)n1)C(C)CC
InChIInChI=1S/C15H24ClN3/c1-4-6-9-19(11(3)5-2)14-10-13(16)17-15(18-14)12-7-8-12/h10-12H,4-9H2,1-3H3
InChIKeyFCWJKCIDVIJWOT-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.41
Rot. Bonds7

About N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine

N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine (PubChem CID 80953088) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine
PubChem CID80953088
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC NameN-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine
SMILESCCCCN(c1cc(Cl)nc(C2CC2)n1)C(C)CC
InChIInChI=1S/C15H24ClN3/c1-4-6-9-19(11(3)5-2)14-10-13(16)17-15(18-14)12-7-8-12/h10-12H,4-9H2,1-3H3
InChIKeyFCWJKCIDVIJWOT-UHFFFAOYSA-N
XLogP4.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine (CID 80953088) is N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine is CCCCN(c1cc(Cl)nc(C2CC2)n1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine?
The InChIKey is FCWJKCIDVIJWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-4-6-9-19(11(3)5-2)14-10-13(16)17-15(18-14)12-7-8-12/h10-12H,4-9H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine?
N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine has a molecular weight of 281.83 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 80953088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).