1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol

C24H33N7O2 — CID 132779508

IUPAC1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol
SMILESCN(Cc1ccc(OCCn2cccn2)cc1)CC1(O)CCN(c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C24H33N7O2/c1-28(2)22-15-23(26-19-25-22)30-12-9-24(32,18-30)17-29(3)16-20-5-7-21(8-6-20)33-14-13-31-11-4-10-27-31/h4-8,10-11,15,19,32H,9,12-14,16-18H2,1-3H3
InChIKeyRLVGAEZNUSEGOX-UHFFFAOYSA-N
MW451.58 g/mol
LogP1.89
Rot. Bonds10

About 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol

1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol (PubChem CID 132779508) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol
PubChem CID132779508
Molecular FormulaC24H33N7O2
Molecular Weight451.58 g/mol
Exact Mass451.27
IUPAC Name1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol
SMILESCN(Cc1ccc(OCCn2cccn2)cc1)CC1(O)CCN(c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C24H33N7O2/c1-28(2)22-15-23(26-19-25-22)30-12-9-24(32,18-30)17-29(3)16-20-5-7-21(8-6-20)33-14-13-31-11-4-10-27-31/h4-8,10-11,15,19,32H,9,12-14,16-18H2,1-3H3
InChIKeyRLVGAEZNUSEGOX-UHFFFAOYSA-N
XLogP1.89
TPSA82.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(3R)-3-[[[4-[2-(dimethylamino)ethoxy]phenyl]methyl-methylamino]methyl]-1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 129458535
1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[[4-(3-hydroxypropoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 132778278
N-[[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 124971244
N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 110124435
3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
CID 132777867
1-[[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]methyl]-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 132779313
1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 132780514
(3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 129459942
2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 129457900
1-(5-fluoro-2-pyridinyl)-3-[[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]methyl]pyrrolidin-3-ol
CID 132778658
3-[[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]methyl]-1-pyridin-2-ylpyrrolidin-3-ol
CID 132767798
3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
CID 132778730

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol (CID 132779508) is 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol is CN(Cc1ccc(OCCn2cccn2)cc1)CC1(O)CCN(c2cc(N(C)C)ncn2)C1.
What is the InChIKey of 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol?
The InChIKey is RLVGAEZNUSEGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2/c1-28(2)22-15-23(26-19-25-22)30-12-9-24(32,18-30)17-29(3)16-20-5-7-21(8-6-20)33-14-13-31-11-4-10-27-31/h4-8,10-11,15,19,32H,9,12-14,16-18H2,1-3H3.
What are the key properties of 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol?
1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol has a molecular weight of 451.58 g/mol, XLogP of 1.89, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 132779508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).