N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C13H20N4O3 — CID 115308388

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC1CCCCC1(CN)NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H20N4O3/c1-8-4-2-3-5-13(8,7-14)17-11(19)9-6-10(18)16-12(20)15-9/h6,8H,2-5,7,14H2,1H3,(H,17,19)(H2,15,16,18,20)
InChIKeyLXULBQMFGLVUHM-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.30
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 115308388) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID115308388
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC1CCCCC1(CN)NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H20N4O3/c1-8-4-2-3-5-13(8,7-14)17-11(19)9-6-10(18)16-12(20)15-9/h6,8H,2-5,7,14H2,1H3,(H,17,19)(H2,15,16,18,20)
InChIKeyLXULBQMFGLVUHM-UHFFFAOYSA-N
XLogP-0.30
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide
CID 115308514
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide
CID 107963717
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
CID 107732198
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 115308618
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dichlorobenzamide
CID 115308512
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 115308378
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-chloro-2-hydroxybenzamide
CID 115308656
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 113283661
N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide
CID 113283690
N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide
CID 115308660
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide
CID 115308550

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 115308388) is N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is CC1CCCCC1(CN)NC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is LXULBQMFGLVUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8-4-2-3-5-13(8,7-14)17-11(19)9-6-10(18)16-12(20)15-9/h6,8H,2-5,7,14H2,1H3,(H,17,19)(H2,15,16,18,20).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.30, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 115308388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).