(2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide

C21H27N7O — CID 122288447

IUPAC(2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)[C@H](C)n3cccn3)cc2)n1
InChIInChI=1S/C21H27N7O/c1-5-27(6-2)19-14-15(3)23-21(26-19)25-18-10-8-17(9-11-18)24-20(29)16(4)28-13-7-12-22-28/h7-14,16H,5-6H2,1-4H3,(H,24,29)(H,23,25,26)/t16-/m0/s1
InChIKeyTWDPBSITPNZCIN-INIZCTEOSA-N
MW393.50 g/mol
LogP3.77
Rot. Bonds8

About (2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide

(2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 122288447) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is (2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID122288447
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name(2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)[C@H](C)n3cccn3)cc2)n1
InChIInChI=1S/C21H27N7O/c1-5-27(6-2)19-14-15(3)23-21(26-19)25-18-10-8-17(9-11-18)24-20(29)16(4)28-13-7-12-22-28/h7-14,16H,5-6H2,1-4H3,(H,24,29)(H,23,25,26)/t16-/m0/s1
InChIKeyTWDPBSITPNZCIN-INIZCTEOSA-N
XLogP3.77
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide with MolForge

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Related Compounds

N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide
CID 18566738
N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112924147
2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 122288252
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112924138
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 122296823
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(trifluoromethoxy)benzamide
CID 122288391
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 122288373
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide
CID 122296624
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 122322066

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide (CID 122288447) is (2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide is CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)[C@H](C)n3cccn3)cc2)n1.
What is the InChIKey of (2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is TWDPBSITPNZCIN-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N7O/c1-5-27(6-2)19-14-15(3)23-21(26-19)25-18-10-8-17(9-11-18)24-20(29)16(4)28-13-7-12-22-28/h7-14,16H,5-6H2,1-4H3,(H,24,29)(H,23,25,26)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
(2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 393.50 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 122288447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).