3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol

C10H19N5O — CID 80905657

IUPAC3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1ccnc(NN)n1
InChIInChI=1S/C10H19N5O/c1-8(2)15(6-3-7-16)9-4-5-12-10(13-9)14-11/h4-5,8,16H,3,6-7,11H2,1-2H3,(H,12,13,14)
InChIKeySPCOSKFPTCRZHJ-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.36
Rot. Bonds6

About 3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol

3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol (PubChem CID 80905657) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
PubChem CID80905657
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1ccnc(NN)n1
InChIInChI=1S/C10H19N5O/c1-8(2)15(6-3-7-16)9-4-5-12-10(13-9)14-11/h4-5,8,16H,3,6-7,11H2,1-2H3,(H,12,13,14)
InChIKeySPCOSKFPTCRZHJ-UHFFFAOYSA-N
XLogP0.36
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811129
2-hydrazinyl-N-propan-2-yl-N-propylpyrimidin-4-amine
CID 80895366
2-hydrazinyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-4-amine
CID 80904714
1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80922992
2-[(2-hydrazinylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80901634
2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine
CID 80900777
N-butyl-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80918365
N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80900495
3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61314147
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80904213
3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 113469264
1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol
CID 106541399

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol (CID 80905657) is 3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)c1ccnc(NN)n1.
What is the InChIKey of 3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
The InChIKey is SPCOSKFPTCRZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-8(2)15(6-3-7-16)9-4-5-12-10(13-9)14-11/h4-5,8,16H,3,6-7,11H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol has a molecular weight of 225.30 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 80905657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).