1,3-bis(prop-2-enylamino)pyrimidine-2,4-dione

C10H14N4O2 — CID 67911243

IUPAC1,3-bis(prop-2-enylamino)pyrimidine-2,4-dione
SMILESC=CCNn1ccc(=O)n(NCC=C)c1=O
InChIInChI=1S/C10H14N4O2/c1-3-6-11-13-8-5-9(15)14(10(13)16)12-7-4-2/h3-5,8,11-12H,1-2,6-7H2
InChIKeyGZMONWOBNBFLRB-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.53
Rot. Bonds6

About 1,3-bis(prop-2-enylamino)pyrimidine-2,4-dione

1,3-bis(prop-2-enylamino)pyrimidine-2,4-dione (PubChem CID 67911243) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1,3-bis(prop-2-enylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(prop-2-enylamino)pyrimidine-2,4-dione
PubChem CID67911243
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1,3-bis(prop-2-enylamino)pyrimidine-2,4-dione
SMILESC=CCNn1ccc(=O)n(NCC=C)c1=O
InChIInChI=1S/C10H14N4O2/c1-3-6-11-13-8-5-9(15)14(10(13)16)12-7-4-2/h3-5,8,11-12H,1-2,6-7H2
InChIKeyGZMONWOBNBFLRB-UHFFFAOYSA-N
XLogP-0.53
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-2-enylamino)pyrimidine-2,4-dione?
The IUPAC name of 1,3-bis(prop-2-enylamino)pyrimidine-2,4-dione (CID 67911243) is 1,3-bis(prop-2-enylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis(prop-2-enylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis(prop-2-enylamino)pyrimidine-2,4-dione is C=CCNn1ccc(=O)n(NCC=C)c1=O.
What is the InChIKey of 1,3-bis(prop-2-enylamino)pyrimidine-2,4-dione?
The InChIKey is GZMONWOBNBFLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-3-6-11-13-8-5-9(15)14(10(13)16)12-7-4-2/h3-5,8,11-12H,1-2,6-7H2.
What are the key properties of 1,3-bis(prop-2-enylamino)pyrimidine-2,4-dione?
1,3-bis(prop-2-enylamino)pyrimidine-2,4-dione has a molecular weight of 222.25 g/mol, XLogP of -0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 67911243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).