N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide

C14H24N4O2 — CID 69492524

IUPACN-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
SMILESCC1=NCCCN1C1CCC(C(=O)NCC(N)=O)CC1
InChIInChI=1S/C14H24N4O2/c1-10-16-7-2-8-18(10)12-5-3-11(4-6-12)14(20)17-9-13(15)19/h11-12H,2-9H2,1H3,(H2,15,19)(H,17,20)
InChIKeyGQJYJZZXJJETQI-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.27
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide

N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide (PubChem CID 69492524) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
PubChem CID69492524
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
SMILESCC1=NCCCN1C1CCC(C(=O)NCC(N)=O)CC1
InChIInChI=1S/C14H24N4O2/c1-10-16-7-2-8-18(10)12-5-3-11(4-6-12)14(20)17-9-13(15)19/h11-12H,2-9H2,1H3,(H2,15,19)(H,17,20)
InChIKeyGQJYJZZXJJETQI-UHFFFAOYSA-N
XLogP0.27
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
CID 69492528
N-(2-amino-2-oxoethyl)-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
CID 69527259
(2S)-2-[[(2S)-2-acetamido-2-cyclohexylacetyl]amino]-N-(2-amino-2-oxoethyl)-5-(1,2-diaminoethylideneamino)pentanamide
CID 144298555
N-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
CID 173174752
(2R,4S)-2-(dimethylamino)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide
CID 173787804
N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 17948991
4-[(4-Methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide
CID 55130606
4-[(3-Oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxamide
CID 62939180
4-[(4-Cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide
CID 62939353
4-[(4-Ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide
CID 62939354
4-[(3-Oxo-4-propylpyrazin-2-yl)amino]cyclohexane-1-carboxamide
CID 62939355
4-[[4-(2-Methylpropyl)-3-oxopyrazin-2-yl]amino]cyclohexane-1-carboxamide
CID 62939521

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide (CID 69492524) is N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide is CC1=NCCCN1C1CCC(C(=O)NCC(N)=O)CC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is GQJYJZZXJJETQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-16-7-2-8-18(10)12-5-3-11(4-6-12)14(20)17-9-13(15)19/h11-12H,2-9H2,1H3,(H2,15,19)(H,17,20).
What are the key properties of N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide?
N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 69492524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).