6-amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

C17H25N5O5 — CID 25479392

IUPAC6-amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN2CCN(C(=O)C3CC3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H25N5O5/c1-27-9-8-22-14(18)13(15(24)19-17(22)26)12(23)10-20-4-6-21(7-5-20)16(25)11-2-3-11/h11H,2-10,18H2,1H3,(H,19,24,26)
InChIKeyWDAVTGNGJPDOFE-UHFFFAOYSA-N
MW379.42 g/mol
LogP-1.50
Rot. Bonds7

About 6-amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

6-amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 25479392) has the molecular formula C17H25N5O5 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID25479392
Molecular FormulaC17H25N5O5
Molecular Weight379.42 g/mol
Exact Mass379.19
IUPAC Name6-amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN2CCN(C(=O)C3CC3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H25N5O5/c1-27-9-8-22-14(18)13(15(24)19-17(22)26)12(23)10-20-4-6-21(7-5-20)16(25)11-2-3-11/h11H,2-10,18H2,1H3,(H,19,24,26)
InChIKeyWDAVTGNGJPDOFE-UHFFFAOYSA-N
XLogP-1.50
TPSA130.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 25479392) is 6-amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CN2CCN(C(=O)C3CC3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is WDAVTGNGJPDOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O5/c1-27-9-8-22-14(18)13(15(24)19-17(22)26)12(23)10-20-4-6-21(7-5-20)16(25)11-2-3-11/h11H,2-10,18H2,1H3,(H,19,24,26).
What are the key properties of 6-amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 379.42 g/mol, XLogP of -1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 25479392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).