[4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone

C24H32N4O3 — CID 110250954

IUPAC[4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1cccc(CNc2cc(CC3CCN(C(=O)C4CCCO4)CC3)nc(C)n2)c1
InChIInChI=1S/C24H32N4O3/c1-17-26-20(15-23(27-17)25-16-19-5-3-6-21(14-19)30-2)13-18-8-10-28(11-9-18)24(29)22-7-4-12-31-22/h3,5-6,14-15,18,22H,4,7-13,16H2,1-2H3,(H,25,26,27)
InChIKeyNRXFNAIJXRIXEJ-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.37
Rot. Bonds7

About [4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone

[4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 110250954) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is [4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID110250954
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name[4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1cccc(CNc2cc(CC3CCN(C(=O)C4CCCO4)CC3)nc(C)n2)c1
InChIInChI=1S/C24H32N4O3/c1-17-26-20(15-23(27-17)25-16-19-5-3-6-21(14-19)30-2)13-18-8-10-28(11-9-18)24(29)22-7-4-12-31-22/h3,5-6,14-15,18,22H,4,7-13,16H2,1-2H3,(H,25,26,27)
InChIKeyNRXFNAIJXRIXEJ-UHFFFAOYSA-N
XLogP3.37
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 92638130
6-[(1-butan-2-ylsulfonylpiperidin-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 110250949
[(3aS,8aS)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-(oxolan-2-yl)methanone
CID 133136866
N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 45246394
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97283369
N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301809
2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 92621093
[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 124505554
2-[3-[[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]methyl]phenoxy]acetamide
CID 111984309
N-[(1R)-2-(3-methoxyphenyl)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42433571

Frequently Asked Questions

What is the IUPAC name of [4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 110250954) is [4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone is COc1cccc(CNc2cc(CC3CCN(C(=O)C4CCCO4)CC3)nc(C)n2)c1.
What is the InChIKey of [4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is NRXFNAIJXRIXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-17-26-20(15-23(27-17)25-16-19-5-3-6-21(14-19)30-2)13-18-8-10-28(11-9-18)24(29)22-7-4-12-31-22/h3,5-6,14-15,18,22H,4,7-13,16H2,1-2H3,(H,25,26,27).
What are the key properties of [4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 424.55 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 110250954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).