2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine

C17H24N4 — CID 112915678

IUPAC2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1cc(C)nc(NCc2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-3-4-8-11-18-16-12-14(2)20-17(21-16)19-13-15-9-6-5-7-10-15/h5-7,9-10,12H,3-4,8,11,13H2,1-2H3,(H2,18,19,20,21)
InChIKeyFZPCEAUUZGCPHX-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.00
Rot. Bonds8

About 2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine

2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine (PubChem CID 112915678) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
PubChem CID112915678
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1cc(C)nc(NCc2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-3-4-8-11-18-16-12-14(2)20-17(21-16)19-13-15-9-6-5-7-10-15/h5-7,9-10,12H,3-4,8,11,13H2,1-2H3,(H2,18,19,20,21)
InChIKeyFZPCEAUUZGCPHX-UHFFFAOYSA-N
XLogP4.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.00
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-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924404
2-N-benzyl-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911702
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112908111
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112918090
6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
CID 112925484
4-N-benzyl-2-N-[[3-[[[4-(benzylamino)-6-(pentylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-6-N-pentyl-1,3,5-triazine-2,4,6-triamine
CID 11093629
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
4-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112922720
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine (CID 112915678) is 2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine is CCCCCNc1cc(C)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine?
The InChIKey is FZPCEAUUZGCPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-4-8-11-18-16-12-14(2)20-17(21-16)19-13-15-9-6-5-7-10-15/h5-7,9-10,12H,3-4,8,11,13H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine?
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine is sourced from PubChem (CID 112915678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).