4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine

C12H20N4 — CID 62959456

IUPAC4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine
SMILESCc1ccnc(NC(C)CN2CCCC2)n1
InChIInChI=1S/C12H20N4/c1-10-5-6-13-12(14-10)15-11(2)9-16-7-3-4-8-16/h5-6,11H,3-4,7-9H2,1-2H3,(H,13,14,15)
InChIKeyJRXVWQJHEMAALG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.68
Rot. Bonds4

About 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine

4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine (PubChem CID 62959456) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine
PubChem CID62959456
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine
SMILESCc1ccnc(NC(C)CN2CCCC2)n1
InChIInChI=1S/C12H20N4/c1-10-5-6-13-12(14-10)15-11(2)9-16-7-3-4-8-16/h5-6,11H,3-4,7-9H2,1-2H3,(H,13,14,15)
InChIKeyJRXVWQJHEMAALG-UHFFFAOYSA-N
XLogP1.68
TPSA41.05 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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine (CID 62959456) is 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine is Cc1ccnc(NC(C)CN2CCCC2)n1.
What is the InChIKey of 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine?
The InChIKey is JRXVWQJHEMAALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-5-6-13-12(14-10)15-11(2)9-16-7-3-4-8-16/h5-6,11H,3-4,7-9H2,1-2H3,(H,13,14,15).
What are the key properties of 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine?
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 62959456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).