5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine

C18H17ClN4O — CID 68647736

IUPAC5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine
SMILESCNc1nc(N)nc(-c2ccccc2)c1-c1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H17ClN4O/c1-21-17-15(12-8-9-14(24-2)13(19)10-12)16(22-18(20)23-17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H3,20,21,22,23)
InChIKeyQFWIJWIPTWDOHF-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.10
Rot. Bonds4

About 5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine

5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 68647736) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine
PubChem CID68647736
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine
SMILESCNc1nc(N)nc(-c2ccccc2)c1-c1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H17ClN4O/c1-21-17-15(12-8-9-14(24-2)13(19)10-12)16(22-18(20)23-17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H3,20,21,22,23)
InChIKeyQFWIJWIPTWDOHF-UHFFFAOYSA-N
XLogP4.10
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine (CID 68647736) is 5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine is CNc1nc(N)nc(-c2ccccc2)c1-c1ccc(OC)c(Cl)c1.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is QFWIJWIPTWDOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-21-17-15(12-8-9-14(24-2)13(19)10-12)16(22-18(20)23-17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H3,20,21,22,23).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine?
5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 340.81 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 68647736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).