1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol

C24H29N5O — CID 133497130

IUPAC1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol
SMILESCc1nc(-c2ccncc2)nc(N(C)CC2(O)CCN(Cc3ccccc3)C2)c1C
InChIInChI=1S/C24H29N5O/c1-18-19(2)26-22(21-9-12-25-13-10-21)27-23(18)28(3)16-24(30)11-14-29(17-24)15-20-7-5-4-6-8-20/h4-10,12-13,30H,11,14-17H2,1-3H3
InChIKeyISAOPNPUSVDQJT-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.23
Rot. Bonds6

About 1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol

1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol (PubChem CID 133497130) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol
PubChem CID133497130
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol
SMILESCc1nc(-c2ccncc2)nc(N(C)CC2(O)CCN(Cc3ccccc3)C2)c1C
InChIInChI=1S/C24H29N5O/c1-18-19(2)26-22(21-9-12-25-13-10-21)27-23(18)28(3)16-24(30)11-14-29(17-24)15-20-7-5-4-6-8-20/h4-10,12-13,30H,11,14-17H2,1-3H3
InChIKeyISAOPNPUSVDQJT-UHFFFAOYSA-N
XLogP3.23
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

1-benzyl-3-[[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrrolidin-3-ol
CID 133497128
1-benzyl-3-[[(4,5-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-3-ol
CID 133497177
1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol
CID 133497039
1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol
CID 133497001
4-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 138038007
4-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133497000
1-benzyl-3-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]pyrrolidin-3-ol
CID 133497002
6-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylamino]-3-chloropyridine-2-carbonitrile
CID 133497042
1-benzyl-3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol
CID 133497154
1-benzyl-3-[[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]pyrrolidin-3-ol
CID 133497094
(3S)-1-benzyl-3-[[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 124620280
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol (CID 133497130) is 1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol is Cc1nc(-c2ccncc2)nc(N(C)CC2(O)CCN(Cc3ccccc3)C2)c1C.
What is the InChIKey of 1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is ISAOPNPUSVDQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-18-19(2)26-22(21-9-12-25-13-10-21)27-23(18)28(3)16-24(30)11-14-29(17-24)15-20-7-5-4-6-8-20/h4-10,12-13,30H,11,14-17H2,1-3H3.
What are the key properties of 1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol?
1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 403.53 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 133497130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).