2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide

C15H25N5O4 — CID 167213779

IUPAC2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide
SMILESCCCN[C@@H](CO)CN(CC(C)=O)C(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C15H25N5O4/c1-3-5-17-12(10-21)8-20(7-11(2)22)14(23)9-19-6-4-13(16)18-15(19)24/h4,6,12,17,21H,3,5,7-10H2,1-2H3,(H2,16,18,24)/t12-/m1/s1
InChIKeyOJIPOCLJLIULNX-GFCCVEGCSA-N
MW339.40 g/mol
LogP-1.40
Rot. Bonds10

About 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide

2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide (PubChem CID 167213779) has the molecular formula C15H25N5O4 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide
PubChem CID167213779
Molecular FormulaC15H25N5O4
Molecular Weight339.40 g/mol
Exact Mass339.19
IUPAC Name2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide
SMILESCCCN[C@@H](CO)CN(CC(C)=O)C(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C15H25N5O4/c1-3-5-17-12(10-21)8-20(7-11(2)22)14(23)9-19-6-4-13(16)18-15(19)24/h4,6,12,17,21H,3,5,7-10H2,1-2H3,(H2,16,18,24)/t12-/m1/s1
InChIKeyOJIPOCLJLIULNX-GFCCVEGCSA-N
XLogP-1.40
TPSA130.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide?
The IUPAC name of 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide (CID 167213779) is 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide?
The canonical SMILES for 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide is CCCN[C@@H](CO)CN(CC(C)=O)C(=O)Cn1ccc(N)nc1=O.
What is the InChIKey of 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide?
The InChIKey is OJIPOCLJLIULNX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N5O4/c1-3-5-17-12(10-21)8-20(7-11(2)22)14(23)9-19-6-4-13(16)18-15(19)24/h4,6,12,17,21H,3,5,7-10H2,1-2H3,(H2,16,18,24)/t12-/m1/s1.
What are the key properties of 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide?
2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide has a molecular weight of 339.40 g/mol, XLogP of -1.40, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 167213779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).