(2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide

C23H25N5O2 — CID 122287406

IUPAC(2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)[C@@H]3CCc4ccccc4O3)cc2)n1
InChIInChI=1S/C23H25N5O2/c1-15-14-21(28(2)3)27-23(24-15)26-18-11-9-17(10-12-18)25-22(29)20-13-8-16-6-4-5-7-19(16)30-20/h4-7,9-12,14,20H,8,13H2,1-3H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
InChIKeyCQQWTFUCIWHVGK-FQEVSTJZSA-N
MW403.49 g/mol
LogP3.93
Rot. Bonds5

About (2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide

(2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 122287406) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is (2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID122287406
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name(2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)[C@@H]3CCc4ccccc4O3)cc2)n1
InChIInChI=1S/C23H25N5O2/c1-15-14-21(28(2)3)27-23(24-15)26-18-11-9-17(10-12-18)25-22(29)20-13-8-16-6-4-5-7-19(16)30-20/h4-7,9-12,14,20H,8,13H2,1-3H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
InChIKeyCQQWTFUCIWHVGK-FQEVSTJZSA-N
XLogP3.93
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide with MolForge

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Related Compounds

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]cyclopentanecarboxamide
CID 121032303
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]cyclohexanecarboxamide
CID 27478105
3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide
CID 18566661
1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3,4-dimethylphenyl)urea
CID 122287217
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 122287302
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide
CID 27537410
(2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 6923439
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide
CID 122287304
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,4-dimethylbenzamide
CID 121032306
(2S)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 136756310
2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione
CID 168519001
(3S)-1-(3-bromophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122287355

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 122287406) is (2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide is Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)[C@@H]3CCc4ccccc4O3)cc2)n1.
What is the InChIKey of (2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is CQQWTFUCIWHVGK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15-14-21(28(2)3)27-23(24-15)26-18-11-9-17(10-12-18)25-22(29)20-13-8-16-6-4-5-7-19(16)30-20/h4-7,9-12,14,20H,8,13H2,1-3H3,(H,25,29)(H,24,26,27)/t20-/m0/s1.
What are the key properties of (2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide?
(2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 122287406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).