ethyl 1-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate

C19H23N5O3 — CID 53143921

IUPACethyl 1-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1
InChIInChI=1S/C19H23N5O3/c1-2-27-18(26)13-8-10-24(11-9-13)19-21-12-15(16(20)23-19)17(25)22-14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,22,25)(H2,20,21,23)
InChIKeyADNMWZSVNQEZQN-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.09
Rot. Bonds5

About ethyl 1-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate

ethyl 1-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate (PubChem CID 53143921) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is ethyl 1-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate
PubChem CID53143921
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Nameethyl 1-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1
InChIInChI=1S/C19H23N5O3/c1-2-27-18(26)13-8-10-24(11-9-13)19-21-12-15(16(20)23-19)17(25)22-14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,22,25)(H2,20,21,23)
InChIKeyADNMWZSVNQEZQN-UHFFFAOYSA-N
XLogP2.09
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate (CID 53143921) is ethyl 1-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1.
What is the InChIKey of ethyl 1-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate?
The InChIKey is ADNMWZSVNQEZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-2-27-18(26)13-8-10-24(11-9-13)19-21-12-15(16(20)23-19)17(25)22-14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,22,25)(H2,20,21,23).
What are the key properties of ethyl 1-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate?
ethyl 1-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate has a molecular weight of 369.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-amino-5-(phenylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 53143921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).