2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol

C11H21N5O — CID 104557148

IUPAC2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol
SMILESCCCc1c(NN)ncnc1N(C)C(C)CO
InChIInChI=1S/C11H21N5O/c1-4-5-9-10(15-12)13-7-14-11(9)16(3)8(2)6-17/h7-8,17H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyOBUUQQSOEJTZHC-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.53
Rot. Bonds6

About 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol

2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol (PubChem CID 104557148) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol
PubChem CID104557148
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol
SMILESCCCc1c(NN)ncnc1N(C)C(C)CO
InChIInChI=1S/C11H21N5O/c1-4-5-9-10(15-12)13-7-14-11(9)16(3)8(2)6-17/h7-8,17H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyOBUUQQSOEJTZHC-UHFFFAOYSA-N
XLogP0.53
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.53
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

6-hydrazinyl-N-methyl-N-pentan-2-yl-5-propylpyrimidin-4-amine
CID 80906528
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
N-(1-cyclopropylethyl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80906264
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80775365
2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 113426535
3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80916482
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80894743
3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile
CID 80829044
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80894065
3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile
CID 80900553
5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine
CID 80906749
1-[ethyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80923421

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol (CID 104557148) is 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol is CCCc1c(NN)ncnc1N(C)C(C)CO.
What is the InChIKey of 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol?
The InChIKey is OBUUQQSOEJTZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-5-9-10(15-12)13-7-14-11(9)16(3)8(2)6-17/h7-8,17H,4-6,12H2,1-3H3,(H,13,14,15).
What are the key properties of 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol?
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 104557148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).