4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine

C12H21N5O — CID 66740107

IUPAC4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine
SMILESCC(C)OCc1cc(N2CCC(N)C2)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-8(2)18-7-10-5-11(16-12(14)15-10)17-4-3-9(13)6-17/h5,8-9H,3-4,6-7,13H2,1-2H3,(H2,14,15,16)
InChIKeyCULUDCAKXAZRRX-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.52
Rot. Bonds4

About 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine

4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine (PubChem CID 66740107) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine
PubChem CID66740107
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine
SMILESCC(C)OCc1cc(N2CCC(N)C2)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-8(2)18-7-10-5-11(16-12(14)15-10)17-4-3-9(13)6-17/h5,8-9H,3-4,6-7,13H2,1-2H3,(H2,14,15,16)
InChIKeyCULUDCAKXAZRRX-UHFFFAOYSA-N
XLogP0.52
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-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 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine (CID 66740107) is 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine is CC(C)OCc1cc(N2CCC(N)C2)nc(N)n1.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine?
The InChIKey is CULUDCAKXAZRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8(2)18-7-10-5-11(16-12(14)15-10)17-4-3-9(13)6-17/h5,8-9H,3-4,6-7,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine?
4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine is sourced from PubChem (CID 66740107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).