N-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine

C22H24N4O — CID 71845614

IUPACN-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1cc(N(Cc2ccccc2)CC2CCCO2)nc(-c2ccccn2)n1
InChIInChI=1S/C22H24N4O/c1-17-14-21(25-22(24-17)20-11-5-6-12-23-20)26(16-19-10-7-13-27-19)15-18-8-3-2-4-9-18/h2-6,8-9,11-12,14,19H,7,10,13,15-16H2,1H3
InChIKeyNIBGOQARKOVHLB-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.03
Rot. Bonds6

About N-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine

N-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 71845614) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID71845614
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1cc(N(Cc2ccccc2)CC2CCCO2)nc(-c2ccccn2)n1
InChIInChI=1S/C22H24N4O/c1-17-14-21(25-22(24-17)20-11-5-6-12-23-20)26(16-19-10-7-13-27-19)15-18-8-3-2-4-9-18/h2-6,8-9,11-12,14,19H,7,10,13,15-16H2,1H3
InChIKeyNIBGOQARKOVHLB-UHFFFAOYSA-N
XLogP4.03
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(3-nitrophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 71845619
2-[benzyl(ethyl)amino]-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324706
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444786
N-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72926395
6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine
CID 95785042
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 95551213
2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 97231150
N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 92614286
1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 126449114
N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 95798355

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine (CID 71845614) is N-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine is Cc1cc(N(Cc2ccccc2)CC2CCCO2)nc(-c2ccccn2)n1.
What is the InChIKey of N-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is NIBGOQARKOVHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-14-21(25-22(24-17)20-11-5-6-12-23-20)26(16-19-10-7-13-27-19)15-18-8-3-2-4-9-18/h2-6,8-9,11-12,14,19H,7,10,13,15-16H2,1H3.
What are the key properties of N-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine?
N-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 71845614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).