3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol

C15H27N5O — CID 102875785

IUPAC3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
SMILESCCCc1nc(NN)c(C)c(N(CCCO)C2CCC2)n1
InChIInChI=1S/C15H27N5O/c1-3-6-13-17-14(19-16)11(2)15(18-13)20(9-5-10-21)12-7-4-8-12/h12,21H,3-10,16H2,1-2H3,(H,17,18,19)
InChIKeyXGGUGZWQECEYDW-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.76
Rot. Bonds8

About 3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol

3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 102875785) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID102875785
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
SMILESCCCc1nc(NN)c(C)c(N(CCCO)C2CCC2)n1
InChIInChI=1S/C15H27N5O/c1-3-6-13-17-14(19-16)11(2)15(18-13)20(9-5-10-21)12-7-4-8-12/h12,21H,3-10,16H2,1-2H3,(H,17,18,19)
InChIKeyXGGUGZWQECEYDW-UHFFFAOYSA-N
XLogP1.76
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.76
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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Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol (CID 102875785) is 3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol is CCCc1nc(NN)c(C)c(N(CCCO)C2CCC2)n1.
What is the InChIKey of 3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is XGGUGZWQECEYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-6-13-17-14(19-16)11(2)15(18-13)20(9-5-10-21)12-7-4-8-12/h12,21H,3-10,16H2,1-2H3,(H,17,18,19).
What are the key properties of 3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol?
3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 293.42 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 102875785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).