3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol

C8H15N5O — CID 80942779

IUPAC3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1cnc(NN)nc1NCCCO
InChIInChI=1S/C8H15N5O/c1-6-5-11-8(13-9)12-7(6)10-3-2-4-14/h5,14H,2-4,9H2,1H3,(H2,10,11,12,13)
InChIKeyMBKRMUDAMFFJPE-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.14
Rot. Bonds5

About 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol

3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 80942779) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID80942779
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1cnc(NN)nc1NCCCO
InChIInChI=1S/C8H15N5O/c1-6-5-11-8(13-9)12-7(6)10-3-2-4-14/h5,14H,2-4,9H2,1H3,(H2,10,11,12,13)
InChIKeyMBKRMUDAMFFJPE-UHFFFAOYSA-N
XLogP-0.14
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol with MolForge

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Related Compounds

3-[2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311885
5-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentanamide
CID 106241936
2-hydrazinyl-5-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107819142
2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
CID 80932366
2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012861
2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80944185
2-hydrazinyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80899340
2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine
CID 80903292
3-[2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311818
3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771885
3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106289054
2-hydrazinyl-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106412476

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol (CID 80942779) is 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol is Cc1cnc(NN)nc1NCCCO.
What is the InChIKey of 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is MBKRMUDAMFFJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-6-5-11-8(13-9)12-7(6)10-3-2-4-14/h5,14H,2-4,9H2,1H3,(H2,10,11,12,13).
What are the key properties of 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol?
3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 197.24 g/mol, XLogP of -0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 80942779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).