6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine

C22H26N4 — CID 112920056

IUPAC6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCc2ccccc2)nc(NCCCc2ccccc2)n1
InChIInChI=1S/C22H26N4/c1-18-17-21(23-16-14-20-11-6-3-7-12-20)26-22(25-18)24-15-8-13-19-9-4-2-5-10-19/h2-7,9-12,17H,8,13-16H2,1H3,(H2,23,24,25,26)
InChIKeyBLDSYYUOQYQHBG-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.48
Rot. Bonds9

About 6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine

6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (PubChem CID 112920056) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
PubChem CID112920056
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCc2ccccc2)nc(NCCCc2ccccc2)n1
InChIInChI=1S/C22H26N4/c1-18-17-21(23-16-14-20-11-6-3-7-12-20)26-22(25-18)24-15-8-13-19-9-4-2-5-10-19/h2-7,9-12,17H,8,13-16H2,1H3,(H2,23,24,25,26)
InChIKeyBLDSYYUOQYQHBG-UHFFFAOYSA-N
XLogP4.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920850
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112921379
6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924404
4-N-(2-methoxyethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911380
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913622
2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911933
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920032
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112918090
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924421
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112915161
6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924413

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (CID 112920056) is 6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is Cc1cc(NCCc2ccccc2)nc(NCCCc2ccccc2)n1.
What is the InChIKey of 6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is BLDSYYUOQYQHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-18-17-21(23-16-14-20-11-6-3-7-12-20)26-22(25-18)24-15-8-13-19-9-4-2-5-10-19/h2-7,9-12,17H,8,13-16H2,1H3,(H2,23,24,25,26).
What are the key properties of 6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 346.48 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112920056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).