1-[3-amino-1-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione

C11H13N5O4 — CID 56962933

IUPAC1-[3-amino-1-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione
SMILESNCCC(n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H13N5O4/c12-4-1-9(15-5-2-7(17)13-10(15)19)16-6-3-8(18)14-11(16)20/h2-3,5-6,9H,1,4,12H2,(H,13,17,19)(H,14,18,20)
InChIKeyBVYGVZGKNXMJMW-UHFFFAOYSA-N
MW279.26 g/mol
LogP-2.22
Rot. Bonds4

About 1-[3-amino-1-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione

1-[3-amino-1-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione (PubChem CID 56962933) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-[3-amino-1-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-amino-1-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione
PubChem CID56962933
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name1-[3-amino-1-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione
SMILESNCCC(n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H13N5O4/c12-4-1-9(15-5-2-7(17)13-10(15)19)16-6-3-8(18)14-11(16)20/h2-3,5-6,9H,1,4,12H2,(H,13,17,19)(H,14,18,20)
InChIKeyBVYGVZGKNXMJMW-UHFFFAOYSA-N
XLogP-2.22
TPSA135.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-2.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-1-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-amino-1-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione (CID 56962933) is 1-[3-amino-1-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-amino-1-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-amino-1-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione is NCCC(n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[3-amino-1-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione?
The InChIKey is BVYGVZGKNXMJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c12-4-1-9(15-5-2-7(17)13-10(15)19)16-6-3-8(18)14-11(16)20/h2-3,5-6,9H,1,4,12H2,(H,13,17,19)(H,14,18,20).
What are the key properties of 1-[3-amino-1-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione?
1-[3-amino-1-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione has a molecular weight of 279.26 g/mol, XLogP of -2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-1-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56962933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).