6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H24N4O3 — CID 63312584

IUPAC6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCCN(CCO)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O3/c1-15-12(10-13(20)16(2)14(15)21)11-18-5-3-4-17(6-7-18)8-9-19/h10,19H,3-9,11H2,1-2H3
InChIKeyIMYNEHONMDZTTH-UHFFFAOYSA-N
MW296.37 g/mol
LogP-1.42
Rot. Bonds4

About 6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 63312584) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID63312584
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCCN(CCO)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O3/c1-15-12(10-13(20)16(2)14(15)21)11-18-5-3-4-17(6-7-18)8-9-19/h10,19H,3-9,11H2,1-2H3
InChIKeyIMYNEHONMDZTTH-UHFFFAOYSA-N
XLogP-1.42
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 71900504
6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 119909687
6-[[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 16580714
1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione
CID 18129466
methyl (3S)-1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-3-carboxylate
CID 79037622
6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46673823
6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 18129465
6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 112734010
1,3-dimethyl-6-[[4-[(2S)-1-(oxane-4-carbonyl)azepan-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 95346288
6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46677423
2-[4-[(3,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 105407826
1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione
CID 127333633

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 63312584) is 6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CN2CCCN(CCO)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is IMYNEHONMDZTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-15-12(10-13(20)16(2)14(15)21)11-18-5-3-4-17(6-7-18)8-9-19/h10,19H,3-9,11H2,1-2H3.
What are the key properties of 6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 296.37 g/mol, XLogP of -1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 63312584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).