4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine

C20H23N5 — CID 19138067

IUPAC4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(CNc2ncnc(NCCc3ccccc3)c2N)cc1
InChIInChI=1S/C20H23N5/c1-15-7-9-17(10-8-15)13-23-20-18(21)19(24-14-25-20)22-12-11-16-5-3-2-4-6-16/h2-10,14H,11-13,21H2,1H3,(H2,22,23,24,25)
InChIKeyIETVJWKTNHNOGL-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.63
Rot. Bonds7

About 4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine

4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine (PubChem CID 19138067) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
PubChem CID19138067
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(CNc2ncnc(NCCc3ccccc3)c2N)cc1
InChIInChI=1S/C20H23N5/c1-15-7-9-17(10-8-15)13-23-20-18(21)19(24-14-25-20)22-12-11-16-5-3-2-4-6-16/h2-10,14H,11-13,21H2,1H3,(H2,22,23,24,25)
InChIKeyIETVJWKTNHNOGL-UHFFFAOYSA-N
XLogP3.63
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine (CID 19138067) is 4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine is Cc1ccc(CNc2ncnc(NCCc3ccccc3)c2N)cc1.
What is the InChIKey of 4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is IETVJWKTNHNOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-15-7-9-17(10-8-15)13-23-20-18(21)19(24-14-25-20)22-12-11-16-5-3-2-4-6-16/h2-10,14H,11-13,21H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 333.44 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19138067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).