methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate

C13H17N3O2 — CID 66285647

IUPACmethyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NC(C2CC2)C2CC2)n1
InChIInChI=1S/C13H17N3O2/c1-18-13(17)12-14-7-6-10(16-12)15-11(8-2-3-8)9-4-5-9/h6-9,11H,2-5H2,1H3,(H,14,15,16)
InChIKeyXCSZYWGHPWSPEO-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.86
Rot. Bonds5

About methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate

methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate (PubChem CID 66285647) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate
PubChem CID66285647
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Namemethyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NC(C2CC2)C2CC2)n1
InChIInChI=1S/C13H17N3O2/c1-18-13(17)12-14-7-6-10(16-12)15-11(8-2-3-8)9-4-5-9/h6-9,11H,2-5H2,1H3,(H,14,15,16)
InChIKeyXCSZYWGHPWSPEO-UHFFFAOYSA-N
XLogP1.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate
CID 66285080
methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate
CID 66287417
methyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate
CID 66286282
methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate
CID 66287042
methyl 4-[(1-methylpiperidin-3-yl)amino]pyrimidine-2-carboxylate
CID 66284636
4-[(2-methoxycarbonylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 81066836
methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate
CID 66287288
methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate
CID 66285311
methyl 4-propan-2-ylpyrimidine-2-carboxylate
CID 59618477
methyl 4-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 114138490
methyl 4-(4-propan-2-yloxybutylamino)pyrimidine-2-carboxylate
CID 106012538
methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate
CID 66285632

Frequently Asked Questions

What is the IUPAC name of methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate (CID 66285647) is methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate is COC(=O)c1nccc(NC(C2CC2)C2CC2)n1.
What is the InChIKey of methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate?
The InChIKey is XCSZYWGHPWSPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-18-13(17)12-14-7-6-10(16-12)15-11(8-2-3-8)9-4-5-9/h6-9,11H,2-5H2,1H3,(H,14,15,16).
What are the key properties of methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate?
methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate has a molecular weight of 247.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66285647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).