2-chloro-N-(cyclopropylmethyl)-6-methyl-N-propylpyrimidin-4-amine

C12H18ClN3 — CID 10922647

IUPAC2-chloro-N-(cyclopropylmethyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCN(CC1CC1)c1cc(C)nc(Cl)n1
InChIInChI=1S/C12H18ClN3/c1-3-6-16(8-10-4-5-10)11-7-9(2)14-12(13)15-11/h7,10H,3-6,8H2,1-2H3
InChIKeyHKDVQNDUUGMZIL-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.06
Rot. Bonds5

About 2-chloro-N-(cyclopropylmethyl)-6-methyl-N-propylpyrimidin-4-amine

2-chloro-N-(cyclopropylmethyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 10922647) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID10922647
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name2-chloro-N-(cyclopropylmethyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCN(CC1CC1)c1cc(C)nc(Cl)n1
InChIInChI=1S/C12H18ClN3/c1-3-6-16(8-10-4-5-10)11-7-9(2)14-12(13)15-11/h7,10H,3-6,8H2,1-2H3
InChIKeyHKDVQNDUUGMZIL-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-6-methyl-N-propylpyrimidin-4-amine (CID 10922647) is 2-chloro-N-(cyclopropylmethyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-6-methyl-N-propylpyrimidin-4-amine is CCCN(CC1CC1)c1cc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is HKDVQNDUUGMZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-3-6-16(8-10-4-5-10)11-7-9(2)14-12(13)15-11/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-6-methyl-N-propylpyrimidin-4-amine?
2-chloro-N-(cyclopropylmethyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 10922647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).