1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol

C15H27N5O — CID 107409163

IUPAC1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCCCc1nc(NN)c(C)c(N2CCCC(C)(O)CC2)n1
InChIInChI=1S/C15H27N5O/c1-4-6-12-17-13(19-16)11(2)14(18-12)20-9-5-7-15(3,21)8-10-20/h21H,4-10,16H2,1-3H3,(H,17,18,19)
InChIKeyATOUHEQWTAAPSB-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.76
Rot. Bonds4

About 1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol

1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol (PubChem CID 107409163) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
PubChem CID107409163
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCCCc1nc(NN)c(C)c(N2CCCC(C)(O)CC2)n1
InChIInChI=1S/C15H27N5O/c1-4-6-12-17-13(19-16)11(2)14(18-12)20-9-5-7-15(3,21)8-10-20/h21H,4-10,16H2,1-3H3,(H,17,18,19)
InChIKeyATOUHEQWTAAPSB-UHFFFAOYSA-N
XLogP1.76
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
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 1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol (CID 107409163) is 1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol is CCCc1nc(NN)c(C)c(N2CCCC(C)(O)CC2)n1.
What is the InChIKey of 1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol?
The InChIKey is ATOUHEQWTAAPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-6-12-17-13(19-16)11(2)14(18-12)20-9-5-7-15(3,21)8-10-20/h21H,4-10,16H2,1-3H3,(H,17,18,19).
What are the key properties of 1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol?
1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol has a molecular weight of 293.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107409163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).