(1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide

C14H20N4O2 — CID 136782473

IUPAC(1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(=O)[nH]c(NCCNC(=O)[C@H]2CC=CCC2)n1
InChIInChI=1S/C14H20N4O2/c1-10-9-12(19)18-14(17-10)16-8-7-15-13(20)11-5-3-2-4-6-11/h2-3,9,11H,4-8H2,1H3,(H,15,20)(H2,16,17,18,19)/t11-/m0/s1
InChIKeyZHPWQIGGEMBCSD-NSHDSACASA-N
MW276.34 g/mol
LogP0.96
Rot. Bonds5

About (1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 136782473) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID136782473
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(=O)[nH]c(NCCNC(=O)[C@H]2CC=CCC2)n1
InChIInChI=1S/C14H20N4O2/c1-10-9-12(19)18-14(17-10)16-8-7-15-13(20)11-5-3-2-4-6-11/h2-3,9,11H,4-8H2,1H3,(H,15,20)(H2,16,17,18,19)/t11-/m0/s1
InChIKeyZHPWQIGGEMBCSD-NSHDSACASA-N
XLogP0.96
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(2-(4-cyclopentyl-6-oxopyrimidin-1(6H)-yl)ethyl)-3-isopropylurea
CID 71795184
6-methyl-2-({2-[5-methyl-5-(4-methylpent-3-en-1-yl)-2-oxopiperidin-1-yl]ethyl}amino)pyrimidin-4(3H)-one
CID 136218474
1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-methylurea
CID 137294122
2-[4-(Cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-5-fluoro-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 154830592
4-(cyclohex-3-en-1-yl)-8-methyl-2-(4-methylpiperazin-1-yl)-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
CID 135645273
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137154125
1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea
CID 135730282
1-(6-isocyanatohexyl)-3-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)urea
CID 135911744
1-(6-aminohexyl)-3-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)urea
CID 136165298
1-[2-[bis[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-3-[(7Z)-5,8-dimethyl-6-oxo-4,5-dihydro-3H-azocin-2-yl]urea
CID 136494474
1-hexyl-3-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)urea
CID 137032913
1-butyl-3-(4-cyclohexyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 140426556

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide (CID 136782473) is (1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide is Cc1cc(=O)[nH]c(NCCNC(=O)[C@H]2CC=CCC2)n1.
What is the InChIKey of (1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ZHPWQIGGEMBCSD-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-9-12(19)18-14(17-10)16-8-7-15-13(20)11-5-3-2-4-6-11/h2-3,9,11H,4-8H2,1H3,(H,15,20)(H2,16,17,18,19)/t11-/m0/s1.
What are the key properties of (1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 136782473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).