4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one

C15H27N5O2 — CID 136801312

IUPAC4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one
SMILESCCN(C)CCCN1CCN(c2cc(=O)[nH]cn2)C[C@H](O)C1
InChIInChI=1S/C15H27N5O2/c1-3-18(2)5-4-6-19-7-8-20(11-13(21)10-19)14-9-15(22)17-12-16-14/h9,12-13,21H,3-8,10-11H2,1-2H3,(H,16,17,22)/t13-/m1/s1
InChIKeyFLYSXVKPNFMYJG-CYBMUJFWSA-N
MW309.41 g/mol
LogP-0.41
Rot. Bonds6

About 4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one

4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one (PubChem CID 136801312) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one
PubChem CID136801312
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one
SMILESCCN(C)CCCN1CCN(c2cc(=O)[nH]cn2)C[C@H](O)C1
InChIInChI=1S/C15H27N5O2/c1-3-18(2)5-4-6-19-7-8-20(11-13(21)10-19)14-9-15(22)17-12-16-14/h9,12-13,21H,3-8,10-11H2,1-2H3,(H,16,17,22)/t13-/m1/s1
InChIKeyFLYSXVKPNFMYJG-CYBMUJFWSA-N
XLogP-0.41
TPSA75.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one (CID 136801312) is 4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one is CCN(C)CCCN1CCN(c2cc(=O)[nH]cn2)C[C@H](O)C1.
What is the InChIKey of 4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one?
The InChIKey is FLYSXVKPNFMYJG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-3-18(2)5-4-6-19-7-8-20(11-13(21)10-19)14-9-15(22)17-12-16-14/h9,12-13,21H,3-8,10-11H2,1-2H3,(H,16,17,22)/t13-/m1/s1.
What are the key properties of 4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one?
4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one has a molecular weight of 309.41 g/mol, XLogP of -0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R)-4-[3-[ethyl(methyl)amino]propyl]-6-hydroxy-1,4-diazepan-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136801312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).