ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate

C13H20N4O2 — CID 25020838

IUPACethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CCCCC2)nc1N
InChIInChI=1S/C13H20N4O2/c1-2-19-12(18)10-8-15-13(17-11(10)14)16-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H3,14,15,16,17)
InChIKeyZQPJUJMVCDHLKP-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.98
Rot. Bonds4

About ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate

ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate (PubChem CID 25020838) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate
PubChem CID25020838
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nameethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CCCCC2)nc1N
InChIInChI=1S/C13H20N4O2/c1-2-19-12(18)10-8-15-13(17-11(10)14)16-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H3,14,15,16,17)
InChIKeyZQPJUJMVCDHLKP-UHFFFAOYSA-N
XLogP1.98
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909
ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972850
ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 102972606
ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate
CID 135151263
ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate
CID 83178577
ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate
CID 83181624
ethyl 2-[(2-aminocycloheptyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83180712
4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid
CID 116640912
ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate
CID 83178883
ethyl 2-[[2-(cyclohexylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109250634
ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate
CID 71220661
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate (CID 25020838) is ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC2CCCCC2)nc1N.
What is the InChIKey of ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate?
The InChIKey is ZQPJUJMVCDHLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-19-12(18)10-8-15-13(17-11(10)14)16-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H3,14,15,16,17).
What are the key properties of ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate?
ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 25020838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).