5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol

C13H24N6O — CID 80937089

IUPAC5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCCc1nc(NN)cc(N2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C13H24N6O/c1-4-11-15-12(17-14)6-13(16-11)19-8-10(20)5-9(19)7-18(2)3/h6,9-10,20H,4-5,7-8,14H2,1-3H3,(H,15,16,17)
InChIKeyYOSVCUAATSGYMF-UHFFFAOYSA-N
MW280.38 g/mol
LogP-0.17
Rot. Bonds5

About 5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 80937089) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID80937089
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCCc1nc(NN)cc(N2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C13H24N6O/c1-4-11-15-12(17-14)6-13(16-11)19-8-10(20)5-9(19)7-18(2)3/h6,9-10,20H,4-5,7-8,14H2,1-3H3,(H,15,16,17)
InChIKeyYOSVCUAATSGYMF-UHFFFAOYSA-N
XLogP-0.17
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(6-amino-2-methylpyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856423
5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856273
5-[(dimethylamino)methyl]-1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80832344
1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856576
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102790003
2-cyclopropyl-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979760
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine
CID 80934977
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640797
[2-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80936973
5-[(dimethylamino)methyl]-1-[(2-hydrazinyl-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 66052532
5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80855641
(3R,5R)-1-[6-[(2,2-difluorocyclopropyl)methylamino]pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 166286004

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol (CID 80937089) is 5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol is CCc1nc(NN)cc(N2CC(O)CC2CN(C)C)n1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is YOSVCUAATSGYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-4-11-15-12(17-14)6-13(16-11)19-8-10(20)5-9(19)7-18(2)3/h6,9-10,20H,4-5,7-8,14H2,1-3H3,(H,15,16,17).
What are the key properties of 5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 280.38 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 80937089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).