1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone

C18H23N5O — CID 123184963

IUPAC1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2nc(Nc3ccccc3)ncc2C)CC1
InChIInChI=1S/C18H23N5O/c1-13-12-19-18(21-15-6-4-3-5-7-15)22-17(13)20-16-8-10-23(11-9-16)14(2)24/h3-7,12,16H,8-11H2,1-2H3,(H2,19,20,21,22)
InChIKeyOWTPVRYOBOVKGH-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.95
Rot. Bonds4

About 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone

1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone (PubChem CID 123184963) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
PubChem CID123184963
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2nc(Nc3ccccc3)ncc2C)CC1
InChIInChI=1S/C18H23N5O/c1-13-12-19-18(21-15-6-4-3-5-7-15)22-17(13)20-16-8-10-23(11-9-16)14(2)24/h3-7,12,16H,8-11H2,1-2H3,(H2,19,20,21,22)
InChIKeyOWTPVRYOBOVKGH-UHFFFAOYSA-N
XLogP2.95
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 175747416
4-[4-[[4-(3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]phenoxy]piperidine-1-carboxylic acid
CID 66637738
4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine
CID 117091195
4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 142188527
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828
4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol
CID 117089717
1-[4-[4-[(4-amino-5-methylpyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 141476497
4-N-cyclopropyl-5-methyl-2-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4-diamine
CID 117083511
methyl 2-bromo-5-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]benzoate
CID 155463506
ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
CID 112956940
1-[4-[4-[[4-(cyclobutylamino)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 70657888
N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 58098819

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone (CID 123184963) is 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2nc(Nc3ccccc3)ncc2C)CC1.
What is the InChIKey of 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is OWTPVRYOBOVKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-12-19-18(21-15-6-4-3-5-7-15)22-17(13)20-16-8-10-23(11-9-16)14(2)24/h3-7,12,16H,8-11H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 325.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 123184963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).