N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine

C10H13N5 — CID 82539235

IUPACN-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
SMILESc1cn(CCCNc2cncnc2)cn1
InChIInChI=1S/C10H13N5/c1(4-15-5-3-11-9-15)2-14-10-6-12-8-13-7-10/h3,5-9,14H,1-2,4H2
InChIKeyOBQBIRBHYIPQMP-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.18
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine

N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine (PubChem CID 82539235) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
PubChem CID82539235
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
SMILESc1cn(CCCNc2cncnc2)cn1
InChIInChI=1S/C10H13N5/c1(4-15-5-3-11-9-15)2-14-10-6-12-8-13-7-10/h3,5-9,14H,1-2,4H2
InChIKeyOBQBIRBHYIPQMP-UHFFFAOYSA-N
XLogP1.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.18
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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Related Compounds

2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid
CID 82535210
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
CID 61313733
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 54961387
N-(3-imidazol-1-ylpropyl)-3,4,5-trimethoxyaniline
CID 61494818
N-(3-imidazol-1-ylpropyl)-1-methylimidazol-2-amine
CID 62132911
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline
CID 63180015
4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one
CID 114392088
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378188
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82539232

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine (CID 82539235) is N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine is c1cn(CCCNc2cncnc2)cn1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine?
The InChIKey is OBQBIRBHYIPQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1(4-15-5-3-11-9-15)2-14-10-6-12-8-13-7-10/h3,5-9,14H,1-2,4H2.
What are the key properties of N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine?
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine has a molecular weight of 203.25 g/mol, XLogP of 1.18, 5 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)pyrimidin-5-amine is sourced from PubChem (CID 82539235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).