6-methyl-5-[[6-(N-methylanilino)pyrimidin-4-yl]amino]piperidin-2-one

C17H21N5O — CID 131963039

IUPAC6-methyl-5-[[6-(N-methylanilino)pyrimidin-4-yl]amino]piperidin-2-one
SMILESCC1NC(=O)CCC1Nc1cc(N(C)c2ccccc2)ncn1
InChIInChI=1S/C17H21N5O/c1-12-14(8-9-17(23)20-12)21-15-10-16(19-11-18-15)22(2)13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3,(H,20,23)(H,18,19,21)
InChIKeyBKWICGWBSJPVPM-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.32
Rot. Bonds4

About 6-methyl-5-[[6-(N-methylanilino)pyrimidin-4-yl]amino]piperidin-2-one

6-methyl-5-[[6-(N-methylanilino)pyrimidin-4-yl]amino]piperidin-2-one (PubChem CID 131963039) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-methyl-5-[[6-(N-methylanilino)pyrimidin-4-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name6-methyl-5-[[6-(N-methylanilino)pyrimidin-4-yl]amino]piperidin-2-one
PubChem CID131963039
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name6-methyl-5-[[6-(N-methylanilino)pyrimidin-4-yl]amino]piperidin-2-one
SMILESCC1NC(=O)CCC1Nc1cc(N(C)c2ccccc2)ncn1
InChIInChI=1S/C17H21N5O/c1-12-14(8-9-17(23)20-12)21-15-10-16(19-11-18-15)22(2)13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3,(H,20,23)(H,18,19,21)
InChIKeyBKWICGWBSJPVPM-UHFFFAOYSA-N
XLogP2.32
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrido[2,3-d]pyrimidin-7-one 13
CID 5330340
Pyrido[2,3-d]pyrimidin-7-one 25
CID 5330352
4-[(2-Azanylpyrimidin-4-Yl)amino]-~{n}-[4-(4-Methylpiperazin-1-Yl)phenyl]-2-Oxidanylidene-1~{h}-Pyridine-3-Carboxamide
CID 102515537
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4780744
Pyrido[2,3-d]pyrimidin-7-one 26
CID 5330353
N-phenyl-4-(pyrimidin-2-yl)piperazine-1-carboxamide
CID 736391
1-(4-Fluorophenyl)-1-[2-(propan-2-ylamino)pyrimidin-4-yl]-3-(pyridin-2-ylmethyl)urea
CID 11610606
1-(4-Fluorophenyl)-3-propan-2-yl-1-[2-(propan-2-ylamino)pyrimidin-4-yl]urea
CID 44412901
3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylamino)pyrimidin-4-yl)-(1H)-pyridin-2-one
CID 52936532
N-[4-[[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475893
N-[3-[[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475894

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[6-(N-methylanilino)pyrimidin-4-yl]amino]piperidin-2-one?
The IUPAC name of 6-methyl-5-[[6-(N-methylanilino)pyrimidin-4-yl]amino]piperidin-2-one (CID 131963039) is 6-methyl-5-[[6-(N-methylanilino)pyrimidin-4-yl]amino]piperidin-2-one.
What is the SMILES notation for 6-methyl-5-[[6-(N-methylanilino)pyrimidin-4-yl]amino]piperidin-2-one?
The canonical SMILES for 6-methyl-5-[[6-(N-methylanilino)pyrimidin-4-yl]amino]piperidin-2-one is CC1NC(=O)CCC1Nc1cc(N(C)c2ccccc2)ncn1.
What is the InChIKey of 6-methyl-5-[[6-(N-methylanilino)pyrimidin-4-yl]amino]piperidin-2-one?
The InChIKey is BKWICGWBSJPVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12-14(8-9-17(23)20-12)21-15-10-16(19-11-18-15)22(2)13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3,(H,20,23)(H,18,19,21).
What are the key properties of 6-methyl-5-[[6-(N-methylanilino)pyrimidin-4-yl]amino]piperidin-2-one?
6-methyl-5-[[6-(N-methylanilino)pyrimidin-4-yl]amino]piperidin-2-one has a molecular weight of 311.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[6-(N-methylanilino)pyrimidin-4-yl]amino]piperidin-2-one is sourced from PubChem (CID 131963039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).