N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine

C11H16ClN3 — CID 62342855

IUPACN-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine
SMILESCCCCN(c1ccnc(Cl)n1)C1CC1
InChIInChI=1S/C11H16ClN3/c1-2-3-8-15(9-4-5-9)10-6-7-13-11(12)14-10/h6-7,9H,2-5,8H2,1H3
InChIKeyQYRDPOWDBMUVKD-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.90
Rot. Bonds5

About N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine

N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine (PubChem CID 62342855) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine
PubChem CID62342855
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC NameN-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine
SMILESCCCCN(c1ccnc(Cl)n1)C1CC1
InChIInChI=1S/C11H16ClN3/c1-2-3-8-15(9-4-5-9)10-6-7-13-11(12)14-10/h6-7,9H,2-5,8H2,1H3
InChIKeyQYRDPOWDBMUVKD-UHFFFAOYSA-N
XLogP2.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine?
The IUPAC name of N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine (CID 62342855) is N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine?
The canonical SMILES for N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine is CCCCN(c1ccnc(Cl)n1)C1CC1.
What is the InChIKey of N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine?
The InChIKey is QYRDPOWDBMUVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-2-3-8-15(9-4-5-9)10-6-7-13-11(12)14-10/h6-7,9H,2-5,8H2,1H3.
What are the key properties of N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine?
N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine has a molecular weight of 225.72 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 62342855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).