N-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine

C12H17N5 — CID 65197789

IUPACN-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(-c2ccn(C)n2)n1
InChIInChI=1S/C12H17N5/c1-3-6-13-9-10-4-7-14-12(15-10)11-5-8-17(2)16-11/h4-5,7-8,13H,3,6,9H2,1-2H3
InChIKeyHKQXGEPGHUPQIS-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.38
Rot. Bonds5

About N-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine

N-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 65197789) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine
PubChem CID65197789
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(-c2ccn(C)n2)n1
InChIInChI=1S/C12H17N5/c1-3-6-13-9-10-4-7-14-12(15-10)11-5-8-17(2)16-11/h4-5,7-8,13H,3,6,9H2,1-2H3
InChIKeyHKQXGEPGHUPQIS-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
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-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine (CID 65197789) is N-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine is CCCNCc1ccnc(-c2ccn(C)n2)n1.
What is the InChIKey of N-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine?
The InChIKey is HKQXGEPGHUPQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-6-13-9-10-4-7-14-12(15-10)11-5-8-17(2)16-11/h4-5,7-8,13H,3,6,9H2,1-2H3.
What are the key properties of N-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine?
N-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65197789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).