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

C12H23N5O — CID 104557168

IUPAC2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
SMILESCc1c(NN)nc(C(C)C)nc1N(C)C(C)CO
InChIInChI=1S/C12H23N5O/c1-7(2)10-14-11(16-13)9(4)12(15-10)17(5)8(3)6-18/h7-8,18H,6,13H2,1-5H3,(H,14,15,16)
InChIKeyHHMIWDHYKAVWEP-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.01
Rot. Bonds5

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

2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol (PubChem CID 104557168) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
PubChem CID104557168
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
SMILESCc1c(NN)nc(C(C)C)nc1N(C)C(C)CO
InChIInChI=1S/C12H23N5O/c1-7(2)10-14-11(16-13)9(4)12(15-10)17(5)8(3)6-18/h7-8,18H,6,13H2,1-5H3,(H,14,15,16)
InChIKeyHHMIWDHYKAVWEP-UHFFFAOYSA-N
XLogP1.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.01
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

2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 113426551
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]ethanol
CID 81001694
6-hydrazinyl-N,5-dimethyl-N-(2-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 81007010
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207600
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 80995792
N-ethyl-6-hydrazinyl-5-methyl-N-(2-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 81006834
N-butyl-N-ethyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81005990
3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 81005910
4-N-(1-methoxypropan-2-yl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986345
N-ethyl-6-hydrazinyl-N-(2-methoxyethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995028
N-cyclopropyl-6-hydrazinyl-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80995786
6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993169

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol (CID 104557168) is 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol is Cc1c(NN)nc(C(C)C)nc1N(C)C(C)CO.
What is the InChIKey of 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol?
The InChIKey is HHMIWDHYKAVWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-7(2)10-14-11(16-13)9(4)12(15-10)17(5)8(3)6-18/h7-8,18H,6,13H2,1-5H3,(H,14,15,16).
What are the key properties of 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol?
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 104557168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).