4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine

C22H24N4O — CID 112879467

IUPAC4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
SMILESCOc1ccc(CCNc2cc(NC3CC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-27-19-11-7-16(8-12-19)13-14-23-20-15-21(24-18-9-10-18)26-22(25-20)17-5-3-2-4-6-17/h2-8,11-12,15,18H,9-10,13-14H2,1H3,(H2,23,24,25,26)
InChIKeyRMFJWJXQXQCSKN-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.38
Rot. Bonds8

About 4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine (PubChem CID 112879467) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
PubChem CID112879467
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
SMILESCOc1ccc(CCNc2cc(NC3CC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-27-19-11-7-16(8-12-19)13-14-23-20-15-21(24-18-9-10-18)26-22(25-20)17-5-3-2-4-6-17/h2-8,11-12,15,18H,9-10,13-14H2,1H3,(H2,23,24,25,26)
InChIKeyRMFJWJXQXQCSKN-UHFFFAOYSA-N
XLogP4.38
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropyl-2-phenylpyrimidine-4,6-diamine
CID 112879476
4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
CID 112880055
4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112881490
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528
N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879966
6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112880400
6-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880259
4-N-cyclopentyl-6-N-(3-methylbutyl)-2-phenylpyrimidine-4,6-diamine
CID 112880067
2-N-cyclopropyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112933130
4-N-[2-(4-fluorophenyl)ethyl]-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880403
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1,3,5-triazin-2-amine
CID 117093130

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine (CID 112879467) is 4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine is COc1ccc(CCNc2cc(NC3CC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine?
The InChIKey is RMFJWJXQXQCSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-27-19-11-7-16(8-12-19)13-14-23-20-15-21(24-18-9-10-18)26-22(25-20)17-5-3-2-4-6-17/h2-8,11-12,15,18H,9-10,13-14H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine has a molecular weight of 360.46 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).