2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine

C14H15ClN4O — CID 90357546

IUPAC2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine
SMILESCOc1ccc(N(c2nccc(N)n2)C2CC2)cc1Cl
InChIInChI=1S/C14H15ClN4O/c1-20-12-5-4-10(8-11(12)15)19(9-2-3-9)14-17-7-6-13(16)18-14/h4-9H,2-3H2,1H3,(H2,16,17,18)
InChIKeyPKPQQNQVPFMLGS-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.02
Rot. Bonds4

About 2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine

2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine (PubChem CID 90357546) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine
PubChem CID90357546
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine
SMILESCOc1ccc(N(c2nccc(N)n2)C2CC2)cc1Cl
InChIInChI=1S/C14H15ClN4O/c1-20-12-5-4-10(8-11(12)15)19(9-2-3-9)14-17-7-6-13(16)18-14/h4-9H,2-3H2,1H3,(H2,16,17,18)
InChIKeyPKPQQNQVPFMLGS-UHFFFAOYSA-N
XLogP3.02
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine (CID 90357546) is 2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine is COc1ccc(N(c2nccc(N)n2)C2CC2)cc1Cl.
What is the InChIKey of 2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine?
The InChIKey is PKPQQNQVPFMLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-20-12-5-4-10(8-11(12)15)19(9-2-3-9)14-17-7-6-13(16)18-14/h4-9H,2-3H2,1H3,(H2,16,17,18).
What are the key properties of 2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine?
2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine has a molecular weight of 290.75 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine is sourced from PubChem (CID 90357546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).