N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine

C16H21N5O — CID 171705020

IUPACN,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1cc(N2CCC(COc3ccncc3)C2)ncn1
InChIInChI=1S/C16H21N5O/c1-20(2)15-9-16(19-12-18-15)21-8-5-13(10-21)11-22-14-3-6-17-7-4-14/h3-4,6-7,9,12-13H,5,8,10-11H2,1-2H3
InChIKeyWIXTYCBSCKYNAV-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.84
Rot. Bonds5

About N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine

N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 171705020) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID171705020
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1cc(N2CCC(COc3ccncc3)C2)ncn1
InChIInChI=1S/C16H21N5O/c1-20(2)15-9-16(19-12-18-15)21-8-5-13(10-21)11-22-14-3-6-17-7-4-14/h3-4,6-7,9,12-13H,5,8,10-11H2,1-2H3
InChIKeyWIXTYCBSCKYNAV-UHFFFAOYSA-N
XLogP1.84
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]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,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 171705020) is N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine is CN(C)c1cc(N2CCC(COc3ccncc3)C2)ncn1.
What is the InChIKey of N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is WIXTYCBSCKYNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20(2)15-9-16(19-12-18-15)21-8-5-13(10-21)11-22-14-3-6-17-7-4-14/h3-4,6-7,9,12-13H,5,8,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine?
N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 299.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 171705020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).