1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C12H19BrN4O — CID 103518270

IUPAC1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1c(N)cncc1Br
InChIInChI=1S/C12H19BrN4O/c1-16(2)6-8-3-9(18)7-17(8)12-10(13)4-15-5-11(12)14/h4-5,8-9,18H,3,6-7,14H2,1-2H3
InChIKeyYRVZTKXTFSRERQ-UHFFFAOYSA-N
MW315.22 g/mol
LogP0.93
Rot. Bonds3

About 1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 103518270) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID103518270
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1c(N)cncc1Br
InChIInChI=1S/C12H19BrN4O/c1-16(2)6-8-3-9(18)7-17(8)12-10(13)4-15-5-11(12)14/h4-5,8-9,18H,3,6-7,14H2,1-2H3
InChIKeyYRVZTKXTFSRERQ-UHFFFAOYSA-N
XLogP0.93
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-amino-2,3-difluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055798
1-(4,6-diamino-3-chloro-2-fluorophenyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 103553250
1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856576
1-[4-(aminomethyl)-2-bromophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 82793756
1-(6-amino-2-methylpyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856423
5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine
CID 103517907
1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 79026695
1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66281221
1-[3-(aminomethyl)-5-bromophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 102814107
1-[(3-amino-4-bromophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 115557231
2-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]benzonitrile
CID 107276480
5-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrazine-2-carbothioamide
CID 66056057

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 103518270) is 1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1c1c(N)cncc1Br.
What is the InChIKey of 1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is YRVZTKXTFSRERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-16(2)6-8-3-9(18)7-17(8)12-10(13)4-15-5-11(12)14/h4-5,8-9,18H,3,6-7,14H2,1-2H3.
What are the key properties of 1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 315.22 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 103518270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).