2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide

C15H23N5O4 — CID 166164312

IUPAC2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
SMILESCC(=O)[C@@H](CO)N(CCNC1CC1)C(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C15H23N5O4/c1-10(22)12(9-21)20(7-5-17-11-2-3-11)14(23)8-19-6-4-13(16)18-15(19)24/h4,6,11-12,17,21H,2-3,5,7-9H2,1H3,(H2,16,18,24)/t12-/m1/s1
InChIKeyCJPNMGITFBQEMV-GFCCVEGCSA-N
MW337.38 g/mol
LogP-1.64
Rot. Bonds9

About 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide

2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide (PubChem CID 166164312) has the molecular formula C15H23N5O4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
PubChem CID166164312
Molecular FormulaC15H23N5O4
Molecular Weight337.38 g/mol
Exact Mass337.18
IUPAC Name2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
SMILESCC(=O)[C@@H](CO)N(CCNC1CC1)C(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C15H23N5O4/c1-10(22)12(9-21)20(7-5-17-11-2-3-11)14(23)8-19-6-4-13(16)18-15(19)24/h4,6,11-12,17,21H,2-3,5,7-9H2,1H3,(H2,16,18,24)/t12-/m1/s1
InChIKeyCJPNMGITFBQEMV-GFCCVEGCSA-N
XLogP-1.64
TPSA130.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-1.64
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-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide?
The IUPAC name of 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide (CID 166164312) is 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide?
The canonical SMILES for 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide is CC(=O)[C@@H](CO)N(CCNC1CC1)C(=O)Cn1ccc(N)nc1=O.
What is the InChIKey of 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide?
The InChIKey is CJPNMGITFBQEMV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N5O4/c1-10(22)12(9-21)20(7-5-17-11-2-3-11)14(23)8-19-6-4-13(16)18-15(19)24/h4,6,11-12,17,21H,2-3,5,7-9H2,1H3,(H2,16,18,24)/t12-/m1/s1.
What are the key properties of 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide?
2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide has a molecular weight of 337.38 g/mol, XLogP of -1.64, 9 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-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide is sourced from PubChem (CID 166164312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).