6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine

C22H25N5 — CID 91765002

IUPAC6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCN(Cc1ccc(-c2ccccc2)cc1)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C22H25N5/c1-27(21-13-20(25-22(24)26-21)18-11-19(23)12-18)14-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,13,18-19H,11-12,14,23H2,1H3,(H2,24,25,26)
InChIKeyYLNFVOPQRLSFDF-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.57
Rot. Bonds5

About 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 91765002) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID91765002
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCN(Cc1ccc(-c2ccccc2)cc1)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C22H25N5/c1-27(21-13-20(25-22(24)26-21)18-11-19(23)12-18)14-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,13,18-19H,11-12,14,23H2,1H3,(H2,24,25,26)
InChIKeyYLNFVOPQRLSFDF-UHFFFAOYSA-N
XLogP3.57
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine (CID 91765002) is 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine is CN(Cc1ccc(-c2ccccc2)cc1)c1cc(C2CC(N)C2)nc(N)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is YLNFVOPQRLSFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-27(21-13-20(25-22(24)26-21)18-11-19(23)12-18)14-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,13,18-19H,11-12,14,23H2,1H3,(H2,24,25,26).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 359.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(4-phenylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91765002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).