N-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide

C16H22F2N4O2 — CID 136567605

IUPACN-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NCCC1CCC(F)(F)C1)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C16H22F2N4O2/c17-16(18)3-1-12(10-16)2-4-19-15(23)13-9-14(21-11-20-13)22-5-7-24-8-6-22/h9,11-12H,1-8,10H2,(H,19,23)
InChIKeyZDTCPNZVHBSQJQ-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.87
Rot. Bonds5

About N-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide

N-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 136567605) has the molecular formula C16H22F2N4O2 and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID136567605
Molecular FormulaC16H22F2N4O2
Molecular Weight340.37 g/mol
Exact Mass340.17
IUPAC NameN-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NCCC1CCC(F)(F)C1)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C16H22F2N4O2/c17-16(18)3-1-12(10-16)2-4-19-15(23)13-9-14(21-11-20-13)22-5-7-24-8-6-22/h9,11-12H,1-8,10H2,(H,19,23)
InChIKeyZDTCPNZVHBSQJQ-UHFFFAOYSA-N
XLogP1.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide 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-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 136567605) is N-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide is O=C(NCCC1CCC(F)(F)C1)c1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is ZDTCPNZVHBSQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O2/c17-16(18)3-1-12(10-16)2-4-19-15(23)13-9-14(21-11-20-13)22-5-7-24-8-6-22/h9,11-12H,1-8,10H2,(H,19,23).
What are the key properties of N-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 136567605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).