5-amino-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one

C11H18N4O2 — CID 136868753

IUPAC5-amino-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one
SMILESCC1(O)CCCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H18N4O2/c1-11(17)3-2-5-15(6-4-11)9-8(12)10(16)14-7-13-9/h7,17H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyUJQUAMKXMVMKTL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.09
Rot. Bonds1

About 5-amino-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one

5-amino-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one (PubChem CID 136868753) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one
PubChem CID136868753
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one
SMILESCC1(O)CCCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H18N4O2/c1-11(17)3-2-5-15(6-4-11)9-8(12)10(16)14-7-13-9/h7,17H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyUJQUAMKXMVMKTL-UHFFFAOYSA-N
XLogP0.09
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one (CID 136868753) is 5-amino-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one is CC1(O)CCCN(c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one?
The InChIKey is UJQUAMKXMVMKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(17)3-2-5-15(6-4-11)9-8(12)10(16)14-7-13-9/h7,17H,2-6,12H2,1H3,(H,13,14,16).
What are the key properties of 5-amino-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-hydroxy-4-methylazepan-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136868753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).