3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine

C12H20N4 — CID 63761067

IUPAC3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
SMILESCc1cnc(N2CCCC2CCCN)nc1
InChIInChI=1S/C12H20N4/c1-10-8-14-12(15-9-10)16-7-3-5-11(16)4-2-6-13/h8-9,11H,2-7,13H2,1H3
InChIKeyXWLQMKDOQWRTEZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.49
Rot. Bonds4

About 3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine

3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine (PubChem CID 63761067) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
PubChem CID63761067
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
SMILESCc1cnc(N2CCCC2CCCN)nc1
InChIInChI=1S/C12H20N4/c1-10-8-14-12(15-9-10)16-7-3-5-11(16)4-2-6-13/h8-9,11H,2-7,13H2,1H3
InChIKeyXWLQMKDOQWRTEZ-UHFFFAOYSA-N
XLogP1.49
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine (CID 63761067) is 3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine is Cc1cnc(N2CCCC2CCCN)nc1.
What is the InChIKey of 3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine?
The InChIKey is XWLQMKDOQWRTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-8-14-12(15-9-10)16-7-3-5-11(16)4-2-6-13/h8-9,11H,2-7,13H2,1H3.
What are the key properties of 3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine?
3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 63761067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).