(6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H29FN6O2 — CID 97195421

IUPAC(6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CC[C@@]2(CCC1=O)CN(c1ncc(F)c(N3CCOCC3)n1)CCN2C
InChIInChI=1S/C19H29FN6O2/c1-23-6-5-19(4-3-16(23)27)14-26(8-7-24(19)2)18-21-13-15(20)17(22-18)25-9-11-28-12-10-25/h13H,3-12,14H2,1-2H3/t19-/m0/s1
InChIKeyLOUXHBNOJYINLV-IBGZPJMESA-N
MW392.48 g/mol
LogP0.59
Rot. Bonds2

About (6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97195421) has the molecular formula C19H29FN6O2 and a molecular weight of 392.48 g/mol. Its IUPAC name is (6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97195421
Molecular FormulaC19H29FN6O2
Molecular Weight392.48 g/mol
Exact Mass392.23
IUPAC Name(6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CC[C@@]2(CCC1=O)CN(c1ncc(F)c(N3CCOCC3)n1)CCN2C
InChIInChI=1S/C19H29FN6O2/c1-23-6-5-19(4-3-16(23)27)14-26(8-7-24(19)2)18-21-13-15(20)17(22-18)25-9-11-28-12-10-25/h13H,3-12,14H2,1-2H3/t19-/m0/s1
InChIKeyLOUXHBNOJYINLV-IBGZPJMESA-N
XLogP0.59
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-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 (6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97195421) is (6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CC[C@@]2(CCC1=O)CN(c1ncc(F)c(N3CCOCC3)n1)CCN2C.
What is the InChIKey of (6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is LOUXHBNOJYINLV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29FN6O2/c1-23-6-5-19(4-3-16(23)27)14-26(8-7-24(19)2)18-21-13-15(20)17(22-18)25-9-11-28-12-10-25/h13H,3-12,14H2,1-2H3/t19-/m0/s1.
What are the key properties of (6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 392.48 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97195421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).