2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol

C15H27N5O — CID 107226730

IUPAC2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
SMILESCCCc1nc(N)c(C)c(N2CCCN(CCO)CC2)n1
InChIInChI=1S/C15H27N5O/c1-3-5-13-17-14(16)12(2)15(18-13)20-7-4-6-19(8-9-20)10-11-21/h21H,3-11H2,1-2H3,(H2,16,17,18)
InChIKeyWQDIOZKEBKJYMI-UHFFFAOYSA-N
MW293.42 g/mol
LogP0.82
Rot. Bonds5

About 2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol

2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol (PubChem CID 107226730) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
PubChem CID107226730
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
SMILESCCCc1nc(N)c(C)c(N2CCCN(CCO)CC2)n1
InChIInChI=1S/C15H27N5O/c1-3-5-13-17-14(16)12(2)15(18-13)20-7-4-6-19(8-9-20)10-11-21/h21H,3-11H2,1-2H3,(H2,16,17,18)
InChIKeyWQDIOZKEBKJYMI-UHFFFAOYSA-N
XLogP0.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol (CID 107226730) is 2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol is CCCc1nc(N)c(C)c(N2CCCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol?
The InChIKey is WQDIOZKEBKJYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-5-13-17-14(16)12(2)15(18-13)20-7-4-6-19(8-9-20)10-11-21/h21H,3-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol?
2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol has a molecular weight of 293.42 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 107226730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).