3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine

C14H24N4 — CID 62745440

IUPAC3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1c(C)nc(N2CCCC2)nc1C
InChIInChI=1S/C14H24N4/c1-11-13(7-6-8-15-3)12(2)17-14(16-11)18-9-4-5-10-18/h15H,4-10H2,1-3H3
InChIKeyOOWIQYOTBYJMBZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.85
Rot. Bonds5

About 3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine

3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine (PubChem CID 62745440) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine
PubChem CID62745440
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1c(C)nc(N2CCCC2)nc1C
InChIInChI=1S/C14H24N4/c1-11-13(7-6-8-15-3)12(2)17-14(16-11)18-9-4-5-10-18/h15H,4-10H2,1-3H3
InChIKeyOOWIQYOTBYJMBZ-UHFFFAOYSA-N
XLogP1.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.85
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

1-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)-N-methylmethanamine
CID 62745478
N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62744044
3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propan-1-amine
CID 55113725
2-(4,6-diethyl-2-piperidin-1-ylpyrimidin-5-yl)-N-methylethanamine
CID 79219149
(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanamine;hydrochloride
CID 82021870
5-ethyl-N,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190547
3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 55134669
N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine
CID 62746380
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745255
3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 63891555
2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine
CID 62745632
N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746715

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine (CID 62745440) is 3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine is CNCCCc1c(C)nc(N2CCCC2)nc1C.
What is the InChIKey of 3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine?
The InChIKey is OOWIQYOTBYJMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11-13(7-6-8-15-3)12(2)17-14(16-11)18-9-4-5-10-18/h15H,4-10H2,1-3H3.
What are the key properties of 3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine?
3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 62745440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).