2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine

C16H27N5O — CID 167774541

IUPAC2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(CCN3CCOCC3)C2)nc(C)n1
InChIInChI=1S/C16H27N5O/c1-13-11-16(18-14(2)17-13)19-15-3-4-21(12-15)6-5-20-7-9-22-10-8-20/h11,15H,3-10,12H2,1-2H3,(H,17,18,19)
InChIKeyXREPPOWTTCGPEH-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.91
Rot. Bonds5

About 2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine

2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 167774541) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID167774541
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(CCN3CCOCC3)C2)nc(C)n1
InChIInChI=1S/C16H27N5O/c1-13-11-16(18-14(2)17-13)19-15-3-4-21(12-15)6-5-20-7-9-22-10-8-20/h11,15H,3-10,12H2,1-2H3,(H,17,18,19)
InChIKeyXREPPOWTTCGPEH-UHFFFAOYSA-N
XLogP0.91
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-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 2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine (CID 167774541) is 2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine is Cc1cc(NC2CCN(CCN3CCOCC3)C2)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is XREPPOWTTCGPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-13-11-16(18-14(2)17-13)19-15-3-4-21(12-15)6-5-20-7-9-22-10-8-20/h11,15H,3-10,12H2,1-2H3,(H,17,18,19).
What are the key properties of 2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 305.43 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 167774541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).