6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine

C14H14ClN3O — CID 80951908

IUPAC6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine
SMILESCOc1cc(-c2cc(N)nc(C3CC3)n2)ccc1Cl
InChIInChI=1S/C14H14ClN3O/c1-19-12-6-9(4-5-10(12)15)11-7-13(16)18-14(17-11)8-2-3-8/h4-8H,2-3H2,1H3,(H2,16,17,18)
InChIKeyRTMNYMITXWDJNY-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.27
Rot. Bonds3

About 6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine

6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine (PubChem CID 80951908) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine
PubChem CID80951908
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine
SMILESCOc1cc(-c2cc(N)nc(C3CC3)n2)ccc1Cl
InChIInChI=1S/C14H14ClN3O/c1-19-12-6-9(4-5-10(12)15)11-7-13(16)18-14(17-11)8-2-3-8/h4-8H,2-3H2,1H3,(H2,16,17,18)
InChIKeyRTMNYMITXWDJNY-UHFFFAOYSA-N
XLogP3.27
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine (CID 80951908) is 6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine is COc1cc(-c2cc(N)nc(C3CC3)n2)ccc1Cl.
What is the InChIKey of 6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine?
The InChIKey is RTMNYMITXWDJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-19-12-6-9(4-5-10(12)15)11-7-13(16)18-14(17-11)8-2-3-8/h4-8H,2-3H2,1H3,(H2,16,17,18).
What are the key properties of 6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine?
6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine has a molecular weight of 275.74 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 80951908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).