N-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

C22H30N4O3 — CID 51497416

IUPACN-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESCOc1ccccc1CN(Cc1ccnc(N2CCOCC2)n1)C[C@@H]1CCCO1
InChIInChI=1S/C22H30N4O3/c1-27-21-7-3-2-5-18(21)15-25(17-20-6-4-12-29-20)16-19-8-9-23-22(24-19)26-10-13-28-14-11-26/h2-3,5,7-9,20H,4,6,10-17H2,1H3/t20-/m0/s1
InChIKeyDRQYNLOCJLKZLT-FQEVSTJZSA-N
MW398.51 g/mol
LogP2.50
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

N-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (PubChem CID 51497416) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
PubChem CID51497416
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESCOc1ccccc1CN(Cc1ccnc(N2CCOCC2)n1)C[C@@H]1CCCO1
InChIInChI=1S/C22H30N4O3/c1-27-21-7-3-2-5-18(21)15-25(17-20-6-4-12-29-20)16-19-8-9-23-22(24-19)26-10-13-28-14-11-26/h2-3,5,7-9,20H,4,6,10-17H2,1H3/t20-/m0/s1
InChIKeyDRQYNLOCJLKZLT-FQEVSTJZSA-N
XLogP2.50
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxypropane-1,2,3-tricarboxylic acid;N-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanamine
CID 171672195
N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95275137
N-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanamine
CID 92597906
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 94402643
5-[[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine
CID 120898761
N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 92597912
N-[(3,4-dimethoxyphenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(oxolan-2-yl)methanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670358
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 97189206
N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60500846
2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55832698
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (CID 51497416) is N-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is COc1ccccc1CN(Cc1ccnc(N2CCOCC2)n1)C[C@@H]1CCCO1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The InChIKey is DRQYNLOCJLKZLT-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-27-21-7-3-2-5-18(21)15-25(17-20-6-4-12-29-20)16-19-8-9-23-22(24-19)26-10-13-28-14-11-26/h2-3,5,7-9,20H,4,6,10-17H2,1H3/t20-/m0/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
N-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine has a molecular weight of 398.51 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 51497416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).