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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Related Compounds

methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate
CID 66285647
4-[(2-methoxycarbonylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 81066836
methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate
CID 66287042
methyl 4-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 114138490
methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate
CID 107816442
methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate
CID 66286242
methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate
CID 66285632
methyl 4-(4-propan-2-yloxybutylamino)pyrimidine-2-carboxylate
CID 106012538
methyl 4-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrimidine-2-carboxylate
CID 114149569
methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate
CID 66285311
methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate
CID 66287417
methyl 4-(pent-3-ynylamino)pyrimidine-2-carboxylate
CID 116644639

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).