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

C19H31N5O2 — CID 112862849

IUPACethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(NC3CCCCCC3)ncn2)CC1
InChIInChI=1S/C19H31N5O2/c1-2-26-19(25)24-11-9-16(10-12-24)23-18-13-17(20-14-21-18)22-15-7-5-3-4-6-8-15/h13-16H,2-12H2,1H3,(H2,20,21,22,23)
InChIKeyNNQJJKRBFQECFK-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.64
Rot. Bonds5

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

ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 112862849) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID112862849
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Nameethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(NC3CCCCCC3)ncn2)CC1
InChIInChI=1S/C19H31N5O2/c1-2-26-19(25)24-11-9-16(10-12-24)23-18-13-17(20-14-21-18)22-15-7-5-3-4-6-8-15/h13-16H,2-12H2,1H3,(H2,20,21,22,23)
InChIKeyNNQJJKRBFQECFK-UHFFFAOYSA-N
XLogP3.64
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849522
ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241296
ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126
ethyl 4-[[6-(propan-2-ylcarbamoyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109338885
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 91779196
ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862856
ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112860217
ethyl 4-[[6-(furan-2-ylmethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112858584
ethyl 4-[[6-(cyclohexylamino)-2-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109363822
ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
CID 130405890

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 112862849) is ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(NC3CCCCCC3)ncn2)CC1.
What is the InChIKey of ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is NNQJJKRBFQECFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-2-26-19(25)24-11-9-16(10-12-24)23-18-13-17(20-14-21-18)22-15-7-5-3-4-6-8-15/h13-16H,2-12H2,1H3,(H2,20,21,22,23).
What are the key properties of ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 361.49 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 112862849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).