2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine

C12H18ClN3 — CID 78989121

IUPAC2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCC(C)CCN(c1ccnc(Cl)n1)C1CC1
InChIInChI=1S/C12H18ClN3/c1-9(2)6-8-16(10-3-4-10)11-5-7-14-12(13)15-11/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyYMXKQPJSRQADBF-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.14
Rot. Bonds5

About 2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine

2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine (PubChem CID 78989121) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
PubChem CID78989121
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCC(C)CCN(c1ccnc(Cl)n1)C1CC1
InChIInChI=1S/C12H18ClN3/c1-9(2)6-8-16(10-3-4-10)11-5-7-14-12(13)15-11/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyYMXKQPJSRQADBF-UHFFFAOYSA-N
XLogP3.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine
CID 62342855
2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine
CID 62343656
5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine
CID 78987726
5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78974449
2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 62343468
2-[cyclopropyl(3-methylbutyl)amino]pyrimidine-4-carbothioamide
CID 107547067
2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 78943781
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine
CID 104787270
6-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridin-2-amine
CID 63587076
4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile
CID 78918805
4-N-cyclopropyl-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80821013
3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile
CID 107058051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine (CID 78989121) is 2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine is CC(C)CCN(c1ccnc(Cl)n1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine?
The InChIKey is YMXKQPJSRQADBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-9(2)6-8-16(10-3-4-10)11-5-7-14-12(13)15-11/h5,7,9-10H,3-4,6,8H2,1-2H3.
What are the key properties of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine?
2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 78989121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).