N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

C12H20N4 — CID 61253592

IUPACN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESCC(C)N1CCC(CNc2ccncn2)C1
InChIInChI=1S/C12H20N4/c1-10(2)16-6-4-11(8-16)7-14-12-3-5-13-9-15-12/h3,5,9-11H,4,6-8H2,1-2H3,(H,13,14,15)
InChIKeyMOXMLWMVIFVOQZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.62
Rot. Bonds4

About N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (PubChem CID 61253592) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
PubChem CID61253592
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESCC(C)N1CCC(CNc2ccncn2)C1
InChIInChI=1S/C12H20N4/c1-10(2)16-6-4-11(8-16)7-14-12-3-5-13-9-15-12/h3,5,9-11H,4,6-8H2,1-2H3,(H,13,14,15)
InChIKeyMOXMLWMVIFVOQZ-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (CID 61253592) is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is CC(C)N1CCC(CNc2ccncn2)C1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is MOXMLWMVIFVOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10(2)16-6-4-11(8-16)7-14-12-3-5-13-9-15-12/h3,5,9-11H,4,6-8H2,1-2H3,(H,13,14,15).
What are the key properties of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 61253592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).