N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine

C16H25N5O — CID 117078978

IUPACN-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESc1cc(NC2CC2)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C16H25N5O/c1-2-13(1)18-15-3-6-17-16(19-15)21-7-4-14(5-8-21)20-9-11-22-12-10-20/h3,6,13-14H,1-2,4-5,7-12H2,(H,17,18,19)
InChIKeyQZBJBSQEPADRGX-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.35
Rot. Bonds4

About N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine

N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 117078978) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID117078978
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESc1cc(NC2CC2)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C16H25N5O/c1-2-13(1)18-15-3-6-17-16(19-15)21-7-4-14(5-8-21)20-9-11-22-12-10-20/h3,6,13-14H,1-2,4-5,7-12H2,(H,17,18,19)
InChIKeyQZBJBSQEPADRGX-UHFFFAOYSA-N
XLogP1.35
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-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-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine (CID 117078978) is N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine is c1cc(NC2CC2)nc(N2CCC(N3CCOCC3)CC2)n1.
What is the InChIKey of N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is QZBJBSQEPADRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-2-13(1)18-15-3-6-17-16(19-15)21-7-4-14(5-8-21)20-9-11-22-12-10-20/h3,6,13-14H,1-2,4-5,7-12H2,(H,17,18,19).
What are the key properties of N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 303.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 117078978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).