5-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine

C20H21ClN4O — CID 44531181

IUPAC5-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CCCc2nc(N)nc(N)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN4O/c1-26-16-11-5-13(6-12-16)3-2-4-17-18(19(22)25-20(23)24-17)14-7-9-15(21)10-8-14/h5-12H,2-4H2,1H3,(H4,22,23,24,25)
InChIKeyUQUKZAKCMQHDLU-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.15
Rot. Bonds6

About 5-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine

5-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine (PubChem CID 44531181) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine
PubChem CID44531181
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name5-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CCCc2nc(N)nc(N)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN4O/c1-26-16-11-5-13(6-12-16)3-2-4-17-18(19(22)25-20(23)24-17)14-7-9-15(21)10-8-14/h5-12H,2-4H2,1H3,(H4,22,23,24,25)
InChIKeyUQUKZAKCMQHDLU-UHFFFAOYSA-N
XLogP4.15
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine (CID 44531181) is 5-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine is COc1ccc(CCCc2nc(N)nc(N)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine?
The InChIKey is UQUKZAKCMQHDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-26-16-11-5-13(6-12-16)3-2-4-17-18(19(22)25-20(23)24-17)14-7-9-15(21)10-8-14/h5-12H,2-4H2,1H3,(H4,22,23,24,25).
What are the key properties of 5-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine?
5-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine has a molecular weight of 368.87 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 44531181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).