N-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide

C25H35N5O2 — CID 92624250

IUPACN-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
SMILESCNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2Cc2cc3c(cc2OC)CCC3)n1
InChIInChI=1S/C25H35N5O2/c1-17(31)29(3)16-21-14-24(26-2)28-25(27-21)22-10-5-6-11-30(22)15-20-12-18-8-7-9-19(18)13-23(20)32-4/h12-14,22H,5-11,15-16H2,1-4H3,(H,26,27,28)/t22-/m1/s1
InChIKeySRJLTGWDQQXERN-JOCHJYFZSA-N
MW437.59 g/mol
LogP3.72
Rot. Bonds7

About N-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide

N-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide (PubChem CID 92624250) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
PubChem CID92624250
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC NameN-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
SMILESCNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2Cc2cc3c(cc2OC)CCC3)n1
InChIInChI=1S/C25H35N5O2/c1-17(31)29(3)16-21-14-24(26-2)28-25(27-21)22-10-5-6-11-30(22)15-20-12-18-8-7-9-19(18)13-23(20)32-4/h12-14,22H,5-11,15-16H2,1-4H3,(H,26,27,28)/t22-/m1/s1
InChIKeySRJLTGWDQQXERN-JOCHJYFZSA-N
XLogP3.72
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 110092340
N-methyl-N-[[6-(methylamino)-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 110259551
2-[(2S)-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidin-2-yl]-N-methyl-6-(methylaminomethyl)pyrimidin-4-amine
CID 92638524
2-[1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidin-2-yl]-N-methyl-6-(methylaminomethyl)pyrimidin-4-amine
CID 110259503
N-[[2-[(2S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624187
N-methyl-N-[[6-(methylamino)-2-[(2S)-1-(2-phenoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 92624243
N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110092328
N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 92638531
N-[[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-2-(2-fluorophenoxy)-N-methylacetamide
CID 92638474
1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone
CID 155498928
2-[(2S)-1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-N-methyl-6-(methylaminomethyl)pyrimidin-4-amine
CID 92638526
N-methyl-6-(methylaminomethyl)-2-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine
CID 110092348

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide (CID 92624250) is N-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide is CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2Cc2cc3c(cc2OC)CCC3)n1.
What is the InChIKey of N-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide?
The InChIKey is SRJLTGWDQQXERN-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-17(31)29(3)16-21-14-24(26-2)28-25(27-21)22-10-5-6-11-30(22)15-20-12-18-8-7-9-19(18)13-23(20)32-4/h12-14,22H,5-11,15-16H2,1-4H3,(H,26,27,28)/t22-/m1/s1.
What are the key properties of N-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide?
N-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide has a molecular weight of 437.59 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 92624250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).