[6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C18H22N4O — CID 109342398

IUPAC[6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(N(C)c3ccccc3)ncn2)CC1
InChIInChI=1S/C18H22N4O/c1-14-8-10-22(11-9-14)18(23)16-12-17(20-13-19-16)21(2)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3
InChIKeyOUUPASRTZYEZOA-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.12
Rot. Bonds3

About [6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109342398) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109342398
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(N(C)c3ccccc3)ncn2)CC1
InChIInChI=1S/C18H22N4O/c1-14-8-10-22(11-9-14)18(23)16-12-17(20-13-19-16)21(2)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3
InChIKeyOUUPASRTZYEZOA-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[6-(N-methylanilino)pyrimidin-4-yl]methanone
CID 109345465
methyl 2-[[6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109342450
(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone
CID 109217921
(4-benzylpiperidin-1-yl)-[5-(N-methylanilino)pyrazin-2-yl]methanone
CID 109288466
[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364267
[4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205094
[6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343534
[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341009
[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 62171607
4-methyl-N,N-diphenylpiperidine-1-carboxamide
CID 71122865
(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342388
(4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone
CID 109338249

Frequently Asked Questions

What is the IUPAC name of [6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 109342398) is [6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(N(C)c3ccccc3)ncn2)CC1.
What is the InChIKey of [6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is OUUPASRTZYEZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-8-10-22(11-9-14)18(23)16-12-17(20-13-19-16)21(2)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of [6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109342398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).