N-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine

C12H17N5 — CID 83189637

IUPACN-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(-n2ccnc2)nc1C
InChIInChI=1S/C12H17N5/c1-3-4-13-7-11-8-15-12(16-10(11)2)17-6-5-14-9-17/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyBSFMQMUOLRPTQR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.47
Rot. Bonds5

About N-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine

N-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine (PubChem CID 83189637) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine
PubChem CID83189637
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(-n2ccnc2)nc1C
InChIInChI=1S/C12H17N5/c1-3-4-13-7-11-8-15-12(16-10(11)2)17-6-5-14-9-17/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyBSFMQMUOLRPTQR-UHFFFAOYSA-N
XLogP1.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.47
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-imidazol-1-yl-4-methylpyrimidin-5-yl)methanol
CID 83185080
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189101
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83185621
N-[(1-imidazol-1-ylisoquinolin-4-yl)methyl]propan-1-amine
CID 106777122
N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83185152
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103503036
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83185190
N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 83185384
N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83188978
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
4-methyl-N,N-dipropyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186192
N-[(2-imidazol-1-ylquinolin-4-yl)methyl]propan-1-amine
CID 62293978

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine (CID 83189637) is N-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine is CCCNCc1cnc(-n2ccnc2)nc1C.
What is the InChIKey of N-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine?
The InChIKey is BSFMQMUOLRPTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-4-13-7-11-8-15-12(16-10(11)2)17-6-5-14-9-17/h5-6,8-9,13H,3-4,7H2,1-2H3.
What are the key properties of N-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine?
N-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 83189637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).