[2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone

C19H24N4O — CID 109256784

IUPAC[2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnc(N(C)Cc3ccccc3)nc2)C1
InChIInChI=1S/C19H24N4O/c1-15-7-6-10-23(13-15)18(24)17-11-20-19(21-12-17)22(2)14-16-8-4-3-5-9-16/h3-5,8-9,11-12,15H,6-7,10,13-14H2,1-2H3
InChIKeyFDYAWJXZKBATRD-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.99
Rot. Bonds4

About [2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone

[2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109256784) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109256784
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnc(N(C)Cc3ccccc3)nc2)C1
InChIInChI=1S/C19H24N4O/c1-15-7-6-10-23(13-15)18(24)17-11-20-19(21-12-17)22(2)14-16-8-4-3-5-9-16/h3-5,8-9,11-12,15H,6-7,10,13-14H2,1-2H3
InChIKeyFDYAWJXZKBATRD-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[benzyl(methyl)amino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109211045
[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264110
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109328238
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661
(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763357
[2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249970
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
azepan-1-yl-[2-(N-benzylanilino)pyrimidin-5-yl]methanone
CID 109264918
(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23725328
4-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047837
[2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264341
2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246891

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone (CID 109256784) is [2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cnc(N(C)Cc3ccccc3)nc2)C1.
What is the InChIKey of [2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is FDYAWJXZKBATRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-7-6-10-23(13-15)18(24)17-11-20-19(21-12-17)22(2)14-16-8-4-3-5-9-16/h3-5,8-9,11-12,15H,6-7,10,13-14H2,1-2H3.
What are the key properties of [2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
[2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109256784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).