5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one

C17H26FN7O2 — CID 134612280

IUPAC5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one
SMILESO=C1NC(N2CCOCC2)NC(N[C@@H]2CCCNC2)C1c1ncc(F)cn1
InChIInChI=1S/C17H26FN7O2/c18-11-8-20-14(21-9-11)13-15(22-12-2-1-3-19-10-12)23-17(24-16(13)26)25-4-6-27-7-5-25/h8-9,12-13,15,17,19,22-23H,1-7,10H2,(H,24,26)/t12-,13?,15?,17?/m1/s1
InChIKeyWCSAXPKMIGPGNQ-DYWZDEHMSA-N
MW379.44 g/mol
LogP-1.30
Rot. Bonds4

About 5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one

5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one (PubChem CID 134612280) has the molecular formula C17H26FN7O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one.

Molecular Properties

Compound Name5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one
PubChem CID134612280
Molecular FormulaC17H26FN7O2
Molecular Weight379.44 g/mol
Exact Mass379.21
IUPAC Name5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one
SMILESO=C1NC(N2CCOCC2)NC(N[C@@H]2CCCNC2)C1c1ncc(F)cn1
InChIInChI=1S/C17H26FN7O2/c18-11-8-20-14(21-9-11)13-15(22-12-2-1-3-19-10-12)23-17(24-16(13)26)25-4-6-27-7-5-25/h8-9,12-13,15,17,19,22-23H,1-7,10H2,(H,24,26)/t12-,13?,15?,17?/m1/s1
InChIKeyWCSAXPKMIGPGNQ-DYWZDEHMSA-N
XLogP-1.30
TPSA103.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one 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 5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one?
The IUPAC name of 5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one (CID 134612280) is 5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one.
What is the SMILES notation for 5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one?
The canonical SMILES for 5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one is O=C1NC(N2CCOCC2)NC(N[C@@H]2CCCNC2)C1c1ncc(F)cn1.
What is the InChIKey of 5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one?
The InChIKey is WCSAXPKMIGPGNQ-DYWZDEHMSA-N. The full InChI is InChI=1S/C17H26FN7O2/c18-11-8-20-14(21-9-11)13-15(22-12-2-1-3-19-10-12)23-17(24-16(13)26)25-4-6-27-7-5-25/h8-9,12-13,15,17,19,22-23H,1-7,10H2,(H,24,26)/t12-,13?,15?,17?/m1/s1.
What are the key properties of 5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one?
5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one has a molecular weight of 379.44 g/mol, XLogP of -1.30, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one is sourced from PubChem (CID 134612280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).