ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate

C15H24N4O2 — CID 61241296

IUPACethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate
SMILESCCCc1cc(NC2CCN(C(=O)OCC)CC2)ncn1
InChIInChI=1S/C15H24N4O2/c1-3-5-13-10-14(17-11-16-13)18-12-6-8-19(9-7-12)15(20)21-4-2/h10-12H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyTXRLDJAAUKQXAK-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.46
Rot. Bonds5

About ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate

ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate (PubChem CID 61241296) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate
PubChem CID61241296
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nameethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate
SMILESCCCc1cc(NC2CCN(C(=O)OCC)CC2)ncn1
InChIInChI=1S/C15H24N4O2/c1-3-5-13-10-14(17-11-16-13)18-12-6-8-19(9-7-12)15(20)21-4-2/h10-12H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyTXRLDJAAUKQXAK-UHFFFAOYSA-N
XLogP2.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126
ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862856
ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849522
ethyl 4-[[6-(propan-2-ylcarbamoyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109338885
ethyl 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 91779196
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
CID 130405890
ethyl 4-[[6-[(2,6-dimethylphenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109352740
ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112860217
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate (CID 61241296) is ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate is CCCc1cc(NC2CCN(C(=O)OCC)CC2)ncn1.
What is the InChIKey of ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is TXRLDJAAUKQXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-5-13-10-14(17-11-16-13)18-12-6-8-19(9-7-12)15(20)21-4-2/h10-12H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 61241296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).