4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one

C14H23N5O — CID 136972628

IUPAC4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCN1CCCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C14H23N5O/c15-4-7-18-5-1-6-19(9-8-18)12-10-13(20)17-14(16-12)11-2-3-11/h10-11H,1-9,15H2,(H,16,17,20)
InChIKeyYOCUFHTXFJXVFB-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.12
Rot. Bonds4

About 4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one

4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136972628) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136972628
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCN1CCCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C14H23N5O/c15-4-7-18-5-1-6-19(9-8-18)12-10-13(20)17-14(16-12)11-2-3-11/h10-11H,1-9,15H2,(H,16,17,20)
InChIKeyYOCUFHTXFJXVFB-UHFFFAOYSA-N
XLogP0.12
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136989892
2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one
CID 137009763
4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136972855
4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137008671
2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821998
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137008934
2-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136961769
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1,4-diazepan-5-one
CID 137009553
2-cyclopropyl-4-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007807
2-cyclopropyl-4-(3-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009930
4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974636
2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 136958750

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136972628) is 4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one is NCCN1CCCN(c2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is YOCUFHTXFJXVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c15-4-7-18-5-1-6-19(9-8-18)12-10-13(20)17-14(16-12)11-2-3-11/h10-11H,1-9,15H2,(H,16,17,20).
What are the key properties of 4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 277.37 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136972628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).