6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione

C13H19N5O4 — CID 27215379

IUPAC6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione
SMILESC[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCNC(=O)C1
InChIInChI=1S/C13H19N5O4/c1-7(18-5-4-15-8(19)6-18)10(20)9-11(14)16(2)13(22)17(3)12(9)21/h7H,4-6,14H2,1-3H3,(H,15,19)/t7-/m1/s1
InChIKeyPNJNEPNXHJOJRV-SSDOTTSWSA-N
MW309.33 g/mol
LogP-2.33
Rot. Bonds3

About 6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione (PubChem CID 27215379) has the molecular formula C13H19N5O4 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione
PubChem CID27215379
Molecular FormulaC13H19N5O4
Molecular Weight309.33 g/mol
Exact Mass309.14
IUPAC Name6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione
SMILESC[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCNC(=O)C1
InChIInChI=1S/C13H19N5O4/c1-7(18-5-4-15-8(19)6-18)10(20)9-11(14)16(2)13(22)17(3)12(9)21/h7H,4-6,14H2,1-3H3,(H,15,19)/t7-/m1/s1
InChIKeyPNJNEPNXHJOJRV-SSDOTTSWSA-N
XLogP-2.33
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 5-2.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione (CID 27215379) is 6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione is C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCNC(=O)C1.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione?
The InChIKey is PNJNEPNXHJOJRV-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H19N5O4/c1-7(18-5-4-15-8(19)6-18)10(20)9-11(14)16(2)13(22)17(3)12(9)21/h7H,4-6,14H2,1-3H3,(H,15,19)/t7-/m1/s1.
What are the key properties of 6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione has a molecular weight of 309.33 g/mol, XLogP of -2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 27215379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).