5-[(dimethylamino)methyl]-1-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol

C14H26N6O — CID 80924894

IUPAC5-[(dimethylamino)methyl]-1-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCC(C)c1c(NN)ncnc1N1CC(O)CC1CN(C)C
InChIInChI=1S/C14H26N6O/c1-9(2)12-13(18-15)16-8-17-14(12)20-7-11(21)5-10(20)6-19(3)4/h8-11,21H,5-7,15H2,1-4H3,(H,16,17,18)
InChIKeyRLNFKXPHLYTAOP-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.39
Rot. Bonds5

About 5-[(dimethylamino)methyl]-1-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 80924894) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID80924894
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name5-[(dimethylamino)methyl]-1-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCC(C)c1c(NN)ncnc1N1CC(O)CC1CN(C)C
InChIInChI=1S/C14H26N6O/c1-9(2)12-13(18-15)16-8-17-14(12)20-7-11(21)5-10(20)6-19(3)4/h8-11,21H,5-7,15H2,1-4H3,(H,16,17,18)
InChIKeyRLNFKXPHLYTAOP-UHFFFAOYSA-N
XLogP0.39
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.39
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

5-[(dimethylamino)methyl]-1-[6-(methylamino)-5-nitropyrimidin-4-yl]pyrrolidin-3-ol
CID 80831961
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine
CID 80825349
1-[1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 55230088
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
CID 77111725
5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol
CID 103386171
3-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138684
5-[(dimethylamino)methyl]-1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856272
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856110
1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856576
5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856273
5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80937089
5-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrazine-2-carbothioamide
CID 66056057

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol (CID 80924894) is 5-[(dimethylamino)methyl]-1-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol is CC(C)c1c(NN)ncnc1N1CC(O)CC1CN(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is RLNFKXPHLYTAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-9(2)12-13(18-15)16-8-17-14(12)20-7-11(21)5-10(20)6-19(3)4/h8-11,21H,5-7,15H2,1-4H3,(H,16,17,18).
What are the key properties of 5-[(dimethylamino)methyl]-1-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 294.40 g/mol, XLogP of 0.39, 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-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 80924894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).