methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate

C14H21N3O2 — CID 66287288

IUPACmethyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate
SMILESCCC1CCCC(Nc2ccnc(C(=O)OC)n2)C1
InChIInChI=1S/C14H21N3O2/c1-3-10-5-4-6-11(9-10)16-12-7-8-15-13(17-12)14(18)19-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,16,17)
InChIKeyWSDWKBYWYRMCAK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.64
Rot. Bonds4

About methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate

methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate (PubChem CID 66287288) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate
PubChem CID66287288
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate
SMILESCCC1CCCC(Nc2ccnc(C(=O)OC)n2)C1
InChIInChI=1S/C14H21N3O2/c1-3-10-5-4-6-11(9-10)16-12-7-8-15-13(17-12)14(18)19-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,16,17)
InChIKeyWSDWKBYWYRMCAK-UHFFFAOYSA-N
XLogP2.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate
CID 114075042
methyl 4-[(1-methylpiperidin-3-yl)amino]pyrimidine-2-carboxylate
CID 66284636
methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate
CID 66287289
N-(3-ethylcyclohexyl)-6-methoxypyridin-2-amine
CID 64742812
methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate
CID 66285311
methyl 2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-5-carboxylate
CID 80572945
6-chloro-N-(3-ethylcyclohexyl)pyridin-2-amine
CID 64744124
methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate
CID 66287042
4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 64749962
3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80516623
methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate
CID 66285647
methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate
CID 66285080

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate (CID 66287288) is methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate is CCC1CCCC(Nc2ccnc(C(=O)OC)n2)C1.
What is the InChIKey of methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate?
The InChIKey is WSDWKBYWYRMCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-10-5-4-6-11(9-10)16-12-7-8-15-13(17-12)14(18)19-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,16,17).
What are the key properties of methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate?
methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66287288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).