N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine

C13H19N5 — CID 75442089

IUPACN-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nccc(NCCCn2ccnc2)n1
InChIInChI=1S/C13H19N5/c1-11(2)13-16-6-4-12(17-13)15-5-3-8-18-9-7-14-10-18/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,15,16,17)
InChIKeyDOLWBQMYFXYWJW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.30
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine

N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 75442089) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID75442089
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nccc(NCCCn2ccnc2)n1
InChIInChI=1S/C13H19N5/c1-11(2)13-16-6-4-12(17-13)15-5-3-8-18-9-7-14-10-18/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,15,16,17)
InChIKeyDOLWBQMYFXYWJW-UHFFFAOYSA-N
XLogP2.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine (CID 75442089) is N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nccc(NCCCn2ccnc2)n1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is DOLWBQMYFXYWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-11(2)13-16-6-4-12(17-13)15-5-3-8-18-9-7-14-10-18/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,15,16,17).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine?
N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 75442089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).