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

C13H22N4 — CID 112907595

IUPAC2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1cc(C)nc(NC2CC2)n1
InChIInChI=1S/C13H22N4/c1-3-4-5-8-14-12-9-10(2)15-13(17-12)16-11-6-7-11/h9,11H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyDFZBGBYOQXTZRP-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.96
Rot. Bonds7

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

2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine (PubChem CID 112907595) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
PubChem CID112907595
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1cc(C)nc(NC2CC2)n1
InChIInChI=1S/C13H22N4/c1-3-4-5-8-14-12-9-10(2)15-13(17-12)16-11-6-7-11/h9,11H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyDFZBGBYOQXTZRP-UHFFFAOYSA-N
XLogP2.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.96
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

4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153
2-N-cyclohexyl-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112910505
6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112912645
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112913006
6-methyl-4-N-(4-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773371
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
N-decyl-4,6-dimethylpyridin-2-amine
CID 151938350
N-hexyl-4,6-dimethylpyridin-2-amine
CID 22105749
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112915678
2-heptyl-6-methyl-N-octylpyrimidin-4-amine
CID 58693161
4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80827135

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine (CID 112907595) is 2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine is CCCCCNc1cc(C)nc(NC2CC2)n1.
What is the InChIKey of 2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine?
The InChIKey is DFZBGBYOQXTZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-4-5-8-14-12-9-10(2)15-13(17-12)16-11-6-7-11/h9,11H,3-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine?
2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine is sourced from PubChem (CID 112907595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).