[1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine

C15H26N4 — CID 103279282

IUPAC[1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
SMILESCCCCCc1cnc(N2CCCC2CN)nc1C
InChIInChI=1S/C15H26N4/c1-3-4-5-7-13-11-17-15(18-12(13)2)19-9-6-8-14(19)10-16/h11,14H,3-10,16H2,1-2H3
InChIKeyWFWGRIVWFGIINT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds6

About [1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine

[1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine (PubChem CID 103279282) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
PubChem CID103279282
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name[1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
SMILESCCCCCc1cnc(N2CCCC2CN)nc1C
InChIInChI=1S/C15H26N4/c1-3-4-5-7-13-11-17-15(18-12(13)2)19-9-6-8-14(19)10-16/h11,14H,3-10,16H2,1-2H3
InChIKeyWFWGRIVWFGIINT-UHFFFAOYSA-N
XLogP2.45
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine (CID 103279282) is [1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine is CCCCCc1cnc(N2CCCC2CN)nc1C.
What is the InChIKey of [1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is WFWGRIVWFGIINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-4-5-7-13-11-17-15(18-12(13)2)19-9-6-8-14(19)10-16/h11,14H,3-10,16H2,1-2H3.
What are the key properties of [1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine?
[1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 103279282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).