2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one

C20H28N4O — CID 136683625

IUPAC2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CCCN(Cc2ccc(Nc3nc(C(C)C)cc(=O)[nH]3)cc2)C1
InChIInChI=1S/C20H28N4O/c1-14(2)18-11-19(25)23-20(22-18)21-17-8-6-16(7-9-17)13-24-10-4-5-15(3)12-24/h6-9,11,14-15H,4-5,10,12-13H2,1-3H3,(H2,21,22,23,25)
InChIKeyTUUMUIQLVPQLNS-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.87
Rot. Bonds5

About 2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one

2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136683625) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136683625
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CCCN(Cc2ccc(Nc3nc(C(C)C)cc(=O)[nH]3)cc2)C1
InChIInChI=1S/C20H28N4O/c1-14(2)18-11-19(25)23-20(22-18)21-17-8-6-16(7-9-17)13-24-10-4-5-15(3)12-24/h6-9,11,14-15H,4-5,10,12-13H2,1-3H3,(H2,21,22,23,25)
InChIKeyTUUMUIQLVPQLNS-UHFFFAOYSA-N
XLogP3.87
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one
CID 136683576
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
2-(3-chloro-4-methylanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779009
(2S)-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]-2-methylsulfanylpropanamide
CID 94885506
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
3-methyl-1-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]butane-1,2-diamine
CID 83960955
N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline
CID 83960979
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119845028
2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]ethanethiol
CID 83960967
2-methyl-N-[4-[2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 55798546

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one (CID 136683625) is 2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one is CC1CCCN(Cc2ccc(Nc3nc(C(C)C)cc(=O)[nH]3)cc2)C1.
What is the InChIKey of 2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is TUUMUIQLVPQLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)18-11-19(25)23-20(22-18)21-17-8-6-16(7-9-17)13-24-10-4-5-15(3)12-24/h6-9,11,14-15H,4-5,10,12-13H2,1-3H3,(H2,21,22,23,25).
What are the key properties of 2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one?
2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 340.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136683625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).