5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine

C14H22N6 — CID 102536401

IUPAC5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CNCCCn2ccnc2)cn1
InChIInChI=1S/C14H22N6/c1-2-4-17-14-18-10-13(11-19-14)9-15-5-3-7-20-8-6-16-12-20/h6,8,10-12,15H,2-5,7,9H2,1H3,(H,17,18,19)
InChIKeyJEPBDAHZWUGWLR-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.67
Rot. Bonds9

About 5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine

5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine (PubChem CID 102536401) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine
PubChem CID102536401
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CNCCCn2ccnc2)cn1
InChIInChI=1S/C14H22N6/c1-2-4-17-14-18-10-13(11-19-14)9-15-5-3-7-20-8-6-16-12-20/h6,8,10-12,15H,2-5,7,9H2,1H3,(H,17,18,19)
InChIKeyJEPBDAHZWUGWLR-UHFFFAOYSA-N
XLogP1.67
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-imidazol-1-ylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753852
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924
N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 60788679
N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 28832043
N-[(3-bromo-4-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 29222813
3-imidazol-1-yl-N-[(3-pentoxyphenyl)methyl]propan-1-amine
CID 54848865
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
N-[(3-ethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155517
2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol
CID 28832019
5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 135106368

Frequently Asked Questions

What is the IUPAC name of 5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine (CID 102536401) is 5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine is CCCNc1ncc(CNCCCn2ccnc2)cn1.
What is the InChIKey of 5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine?
The InChIKey is JEPBDAHZWUGWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-2-4-17-14-18-10-13(11-19-14)9-15-5-3-7-20-8-6-16-12-20/h6,8,10-12,15H,2-5,7,9H2,1H3,(H,17,18,19).
What are the key properties of 5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine?
5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine has a molecular weight of 274.37 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 102536401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).