6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid

C16H23N5O4 — CID 68517206

IUPAC6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid
SMILESO=C(CNc1cc(C(=O)O)nc(N2CCOCC2)n1)NC1CCCC1
InChIInChI=1S/C16H23N5O4/c22-14(18-11-3-1-2-4-11)10-17-13-9-12(15(23)24)19-16(20-13)21-5-7-25-8-6-21/h9,11H,1-8,10H2,(H,18,22)(H,23,24)(H,17,19,20)
InChIKeyJJTWRUBQEYFCCW-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.48
Rot. Bonds6

About 6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid

6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid (PubChem CID 68517206) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid
PubChem CID68517206
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid
SMILESO=C(CNc1cc(C(=O)O)nc(N2CCOCC2)n1)NC1CCCC1
InChIInChI=1S/C16H23N5O4/c22-14(18-11-3-1-2-4-11)10-17-13-9-12(15(23)24)19-16(20-13)21-5-7-25-8-6-21/h9,11H,1-8,10H2,(H,18,22)(H,23,24)(H,17,19,20)
InChIKeyJJTWRUBQEYFCCW-UHFFFAOYSA-N
XLogP0.48
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid (CID 68517206) is 6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid is O=C(CNc1cc(C(=O)O)nc(N2CCOCC2)n1)NC1CCCC1.
What is the InChIKey of 6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid?
The InChIKey is JJTWRUBQEYFCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c22-14(18-11-3-1-2-4-11)10-17-13-9-12(15(23)24)19-16(20-13)21-5-7-25-8-6-21/h9,11H,1-8,10H2,(H,18,22)(H,23,24)(H,17,19,20).
What are the key properties of 6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid?
6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 68517206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).