methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate

C15H22N4O2 — CID 115307635

IUPACmethyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(N2CCC(NCC3CC3)CC2)n1
InChIInChI=1S/C15H22N4O2/c1-21-15(20)14-16-7-4-13(18-14)19-8-5-12(6-9-19)17-10-11-2-3-11/h4,7,11-12,17H,2-3,5-6,8-10H2,1H3
InChIKeyZPVABIHUVKVHGV-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.23
Rot. Bonds5

About methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate

methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate (PubChem CID 115307635) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate
PubChem CID115307635
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Namemethyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(N2CCC(NCC3CC3)CC2)n1
InChIInChI=1S/C15H22N4O2/c1-21-15(20)14-16-7-4-13(18-14)19-8-5-12(6-9-19)17-10-11-2-3-11/h4,7,11-12,17H,2-3,5-6,8-10H2,1H3
InChIKeyZPVABIHUVKVHGV-UHFFFAOYSA-N
XLogP1.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-morpholin-4-ylpyrimidine-2-carboxylate
CID 150936080
methyl 4-[4-[1-(3,4-dimethylpentanoylamino)cyclopropyl]piperidin-1-yl]pyrimidine-2-carboxylate
CID 138048985
2-[4-(2-methoxycarbonylpyrimidin-4-yl)-1,4-diazepan-1-yl]acetic acid
CID 66287002
methyl 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pyrimidine-2-carboxylate
CID 66286332
3-[4-(2-methoxycarbonylpyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 66288610
1-(2-methoxycarbonylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66290681
methyl 4-[4-(azetidin-3-yl)piperazin-1-yl]pyrimidine-2-carboxylate
CID 66287130
N-(cyclopropylmethyl)-1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-amine
CID 115307509
methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate
CID 66284729
1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983174
N-(cyclopropylmethyl)-1-(5,6-dimethylpyrazin-2-yl)piperidin-4-amine
CID 114476593
1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 66284509

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate (CID 115307635) is methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate is COC(=O)c1nccc(N2CCC(NCC3CC3)CC2)n1.
What is the InChIKey of methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate?
The InChIKey is ZPVABIHUVKVHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-21-15(20)14-16-7-4-13(18-14)19-8-5-12(6-9-19)17-10-11-2-3-11/h4,7,11-12,17H,2-3,5-6,8-10H2,1H3.
What are the key properties of methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate?
methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate has a molecular weight of 290.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate is sourced from PubChem (CID 115307635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).