methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate

C14H20N4O3 — CID 134069591

IUPACmethyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C14H20N4O3/c1-21-13(19)8-15-14(20)11-7-12(17-9-16-11)18-10-5-3-2-4-6-10/h7,9-10H,2-6,8H2,1H3,(H,15,20)(H,16,17,18)
InChIKeyLOWCDQOWFMUXDA-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.12
Rot. Bonds5

About methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate

methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate (PubChem CID 134069591) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate
PubChem CID134069591
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Namemethyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C14H20N4O3/c1-21-13(19)8-15-14(20)11-7-12(17-9-16-11)18-10-5-3-2-4-6-10/h7,9-10H,2-6,8H2,1H3,(H,15,20)(H,16,17,18)
InChIKeyLOWCDQOWFMUXDA-UHFFFAOYSA-N
XLogP1.12
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109342983
6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109341832
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109341235
N-ethyl-6-[[4-(methylamino)cyclohexyl]amino]pyrimidine-4-carboxamide
CID 139297423
6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341823
N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109341918
6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341214
6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109341836
6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109339048
N-[2-(4-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341245

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate (CID 134069591) is methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate is COC(=O)CNC(=O)c1cc(NC2CCCCC2)ncn1.
What is the InChIKey of methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate?
The InChIKey is LOWCDQOWFMUXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-21-13(19)8-15-14(20)11-7-12(17-9-16-11)18-10-5-3-2-4-6-10/h7,9-10H,2-6,8H2,1H3,(H,15,20)(H,16,17,18).
What are the key properties of methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate?
methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate has a molecular weight of 292.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 134069591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).