2-(dimethylamino)-N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide

C24H27FN6O3 — CID 11698414

IUPAC2-(dimethylamino)-N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide
SMILESCN(C)CC(=O)Nc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1
InChIInChI=1S/C24H27FN6O3/c1-29(2)15-22(32)27-17-6-4-16(5-7-17)21-14-31(10-11-34-21)24-28-20(12-23(33)30(24)3)18-8-9-26-13-19(18)25/h4-9,12-13,21H,10-11,14-15H2,1-3H3,(H,27,32)/t21-/m1/s1
InChIKeySRSKVQGQVNODCG-OAQYLSRUSA-N
MW466.52 g/mol
LogP2.06
Rot. Bonds6

About 2-(dimethylamino)-N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide

2-(dimethylamino)-N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide (PubChem CID 11698414) has the molecular formula C24H27FN6O3 and a molecular weight of 466.52 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide
PubChem CID11698414
Molecular FormulaC24H27FN6O3
Molecular Weight466.52 g/mol
Exact Mass466.21
IUPAC Name2-(dimethylamino)-N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide
SMILESCN(C)CC(=O)Nc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1
InChIInChI=1S/C24H27FN6O3/c1-29(2)15-22(32)27-17-6-4-16(5-7-17)21-14-31(10-11-34-21)24-28-20(12-23(33)30(24)3)18-8-9-26-13-19(18)25/h4-9,12-13,21H,10-11,14-15H2,1-3H3,(H,27,32)/t21-/m1/s1
InChIKeySRSKVQGQVNODCG-OAQYLSRUSA-N
XLogP2.06
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide (CID 11698414) is 2-(dimethylamino)-N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide is CN(C)CC(=O)Nc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide?
The InChIKey is SRSKVQGQVNODCG-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27FN6O3/c1-29(2)15-22(32)27-17-6-4-16(5-7-17)21-14-31(10-11-34-21)24-28-20(12-23(33)30(24)3)18-8-9-26-13-19(18)25/h4-9,12-13,21H,10-11,14-15H2,1-3H3,(H,27,32)/t21-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide?
2-(dimethylamino)-N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide has a molecular weight of 466.52 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-[(2S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]acetamide is sourced from PubChem (CID 11698414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).