N-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine

C26H33N5O2 — CID 110262883

IUPACN-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
SMILESCOCc1ccc(OC)c(CN2CCCC2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)c1
InChIInChI=1S/C26H33N5O2/c1-17-11-18(2)29-26(28-17)30-22-12-19(3)27-23(14-22)24-7-6-10-31(24)15-21-13-20(16-32-4)8-9-25(21)33-5/h8-9,11-14,24H,6-7,10,15-16H2,1-5H3,(H,27,28,29,30)
InChIKeyCUHHQODFCCBGAR-UHFFFAOYSA-N
MW447.58 g/mol
LogP5.03
Rot. Bonds8

About N-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine

N-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 110262883) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID110262883
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
SMILESCOCc1ccc(OC)c(CN2CCCC2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)c1
InChIInChI=1S/C26H33N5O2/c1-17-11-18(2)29-26(28-17)30-22-12-19(3)27-23(14-22)24-7-6-10-31(24)15-21-13-20(16-32-4)8-9-25(21)33-5/h8-9,11-14,24H,6-7,10,15-16H2,1-5H3,(H,27,28,29,30)
InChIKeyCUHHQODFCCBGAR-UHFFFAOYSA-N
XLogP5.03
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine
CID 110262632
N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
CID 95832802
[2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol
CID 95832823
N-[2-[1-[(6-methoxy-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
CID 110262879
N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 95832813
N-[2-[(2S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 95832812
N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 110262789
1-[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 95832698
[2-methoxy-5-[[(2R)-2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methyl]phenyl]methanol
CID 92553389
N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 95835780
[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 62017644
3-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
CID 92732537

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine (CID 110262883) is N-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine is COCc1ccc(OC)c(CN2CCCC2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)c1.
What is the InChIKey of N-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is CUHHQODFCCBGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-17-11-18(2)29-26(28-17)30-22-12-19(3)27-23(14-22)24-7-6-10-31(24)15-21-13-20(16-32-4)8-9-25(21)33-5/h8-9,11-14,24H,6-7,10,15-16H2,1-5H3,(H,27,28,29,30).
What are the key properties of N-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
N-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 447.58 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 110262883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).