3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine

C14H24N4 — CID 102536485

IUPAC3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine
SMILESCC(C)CCNCc1cnc(N2CCCC2)nc1
InChIInChI=1S/C14H24N4/c1-12(2)5-6-15-9-13-10-16-14(17-11-13)18-7-3-4-8-18/h10-12,15H,3-9H2,1-2H3
InChIKeyNQTPCNKCCVFWSM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.21
Rot. Bonds6

About 3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine

3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine (PubChem CID 102536485) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine
PubChem CID102536485
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine
SMILESCC(C)CCNCc1cnc(N2CCCC2)nc1
InChIInChI=1S/C14H24N4/c1-12(2)5-6-15-9-13-10-16-14(17-11-13)18-7-3-4-8-18/h10-12,15H,3-9H2,1-2H3
InChIKeyNQTPCNKCCVFWSM-UHFFFAOYSA-N
XLogP2.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.21
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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Related Compounds

2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol
CID 102536724
1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
CID 47626361
(1S)-1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
CID 95582612
N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine
CID 62756397
2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol
CID 102536476
N-[(2-thiomorpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 113388026
1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol
CID 106670519
3-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butan-1-amine
CID 83962751
N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide
CID 47052300
1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine
CID 47052615
N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 55113924
4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine
CID 54913869

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine (CID 102536485) is 3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine is CC(C)CCNCc1cnc(N2CCCC2)nc1.
What is the InChIKey of 3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine?
The InChIKey is NQTPCNKCCVFWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12(2)5-6-15-9-13-10-16-14(17-11-13)18-7-3-4-8-18/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine?
3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 102536485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).