methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate

C14H19N3O2 — CID 66285080

IUPACmethyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NCC(C2CC2)C2CC2)n1
InChIInChI=1S/C14H19N3O2/c1-19-14(18)13-15-7-6-12(17-13)16-8-11(9-2-3-9)10-4-5-10/h6-7,9-11H,2-5,8H2,1H3,(H,15,16,17)
InChIKeyACVPUVAECNNJAT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.11
Rot. Bonds6

About methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate

methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate (PubChem CID 66285080) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate
PubChem CID66285080
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namemethyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NCC(C2CC2)C2CC2)n1
InChIInChI=1S/C14H19N3O2/c1-19-14(18)13-15-7-6-12(17-13)16-8-11(9-2-3-9)10-4-5-10/h6-7,9-11H,2-5,8H2,1H3,(H,15,16,17)
InChIKeyACVPUVAECNNJAT-UHFFFAOYSA-N
XLogP2.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate (CID 66285080) is methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate is COC(=O)c1nccc(NCC(C2CC2)C2CC2)n1.
What is the InChIKey of methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate?
The InChIKey is ACVPUVAECNNJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-19-14(18)13-15-7-6-12(17-13)16-8-11(9-2-3-9)10-4-5-10/h6-7,9-11H,2-5,8H2,1H3,(H,15,16,17).
What are the key properties of methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate?
methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66285080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).