5-amino-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one

C12H21N5O — CID 136726435

IUPAC5-amino-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CN(C)CCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C12H21N5O/c1-3-9-7-16(2)5-4-6-17(9)11-10(13)12(18)15-8-14-11/h8-9H,3-7,13H2,1-2H3,(H,14,15,18)
InChIKeyGGZGOOKUZFRHDS-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.27
Rot. Bonds2

About 5-amino-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one

5-amino-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one (PubChem CID 136726435) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
PubChem CID136726435
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-amino-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CN(C)CCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C12H21N5O/c1-3-9-7-16(2)5-4-6-17(9)11-10(13)12(18)15-8-14-11/h8-9H,3-7,13H2,1-2H3,(H,14,15,18)
InChIKeyGGZGOOKUZFRHDS-UHFFFAOYSA-N
XLogP0.27
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
5-amino-4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 135568285
5-amino-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568287
5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135568292
5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
5-amino-4-(butan-2-ylamino)-1H-pyrimidin-6-one
CID 135575730
5-amino-4-(butylamino)-1H-pyrimidin-6-one
CID 135786480
5-amino-4-(diethylamino)-1H-pyrimidin-6-one
CID 135786486
5-amino-4-(azepan-1-yl)-1H-pyrimidin-6-one
CID 135786491
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713569
5-chloro-4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136726418

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one (CID 136726435) is 5-amino-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one is CCC1CN(C)CCCN1c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one?
The InChIKey is GGZGOOKUZFRHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-9-7-16(2)5-4-6-17(9)11-10(13)12(18)15-8-14-11/h8-9H,3-7,13H2,1-2H3,(H,14,15,18).
What are the key properties of 5-amino-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136726435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).