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

C19H28N4 — CID 112924404

IUPAC6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCCCCCNc1cc(C)nc(NCCCc2ccccc2)n1
InChIInChI=1S/C19H28N4/c1-3-4-8-13-20-18-15-16(2)22-19(23-18)21-14-9-12-17-10-6-5-7-11-17/h5-7,10-11,15H,3-4,8-9,12-14H2,1-2H3,(H2,20,21,22,23)
InChIKeyNLVLJZANUDFPPT-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.43
Rot. Bonds10

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

6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (PubChem CID 112924404) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
PubChem CID112924404
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCCCCCNc1cc(C)nc(NCCCc2ccccc2)n1
InChIInChI=1S/C19H28N4/c1-3-4-8-13-20-18-15-16(2)22-19(23-18)21-14-9-12-17-10-6-5-7-11-17/h5-7,10-11,15H,3-4,8-9,12-14H2,1-2H3,(H2,20,21,22,23)
InChIKeyNLVLJZANUDFPPT-UHFFFAOYSA-N
XLogP4.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.43
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

6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112915678
2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911933
4-N-(2-methoxyethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911380
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
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-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
CID 112925484
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112918090
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924421
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913622
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112915161

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (CID 112924404) is 6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is CCCCCNc1cc(C)nc(NCCCc2ccccc2)n1.
What is the InChIKey of 6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is NLVLJZANUDFPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-3-4-8-13-20-18-15-16(2)22-19(23-18)21-14-9-12-17-10-6-5-7-11-17/h5-7,10-11,15H,3-4,8-9,12-14H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112924404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).