4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-2-yl-4-pyridinyl]piperazine-1-carboxylic acid

C18H23N7O3 — CID 174702360

IUPAC4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-2-yl-4-pyridinyl]piperazine-1-carboxylic acid
SMILESNc1ncc(-c2cc(N3CCN(C(=O)O)CC3)cc(C3CNCCO3)n2)cn1
InChIInChI=1S/C18H23N7O3/c19-17-21-9-12(10-22-17)14-7-13(24-2-4-25(5-3-24)18(26)27)8-15(23-14)16-11-20-1-6-28-16/h7-10,16,20H,1-6,11H2,(H,26,27)(H2,19,21,22)
InChIKeyNJAPXIDRKGUAGU-UHFFFAOYSA-N
MW385.43 g/mol
LogP0.58
Rot. Bonds3

About 4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-2-yl-4-pyridinyl]piperazine-1-carboxylic acid

4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-2-yl-4-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 174702360) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-2-yl-4-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-2-yl-4-pyridinyl]piperazine-1-carboxylic acid
PubChem CID174702360
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-2-yl-4-pyridinyl]piperazine-1-carboxylic acid
SMILESNc1ncc(-c2cc(N3CCN(C(=O)O)CC3)cc(C3CNCCO3)n2)cn1
InChIInChI=1S/C18H23N7O3/c19-17-21-9-12(10-22-17)14-7-13(24-2-4-25(5-3-24)18(26)27)8-15(23-14)16-11-20-1-6-28-16/h7-10,16,20H,1-6,11H2,(H,26,27)(H2,19,21,22)
InChIKeyNJAPXIDRKGUAGU-UHFFFAOYSA-N
XLogP0.58
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-2-yl-4-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-2-yl-4-pyridinyl]piperazine-1-carboxylic acid (CID 174702360) is 4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-2-yl-4-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-2-yl-4-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-2-yl-4-pyridinyl]piperazine-1-carboxylic acid is Nc1ncc(-c2cc(N3CCN(C(=O)O)CC3)cc(C3CNCCO3)n2)cn1.
What is the InChIKey of 4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-2-yl-4-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is NJAPXIDRKGUAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c19-17-21-9-12(10-22-17)14-7-13(24-2-4-25(5-3-24)18(26)27)8-15(23-14)16-11-20-1-6-28-16/h7-10,16,20H,1-6,11H2,(H,26,27)(H2,19,21,22).
What are the key properties of 4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-2-yl-4-pyridinyl]piperazine-1-carboxylic acid?
4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-2-yl-4-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 385.43 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-2-yl-4-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 174702360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).