1,3-bis(2-aminoethyl)-6-methylpyrimidine-2,4-dione

C9H16N4O2 — CID 12641807

IUPAC1,3-bis(2-aminoethyl)-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCN)c(=O)n1CCN
InChIInChI=1S/C9H16N4O2/c1-7-6-8(14)13(5-3-11)9(15)12(7)4-2-10/h6H,2-5,10-11H2,1H3
InChIKeyNEHCLCRULZKEHN-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.76
Rot. Bonds4

About 1,3-bis(2-aminoethyl)-6-methylpyrimidine-2,4-dione

1,3-bis(2-aminoethyl)-6-methylpyrimidine-2,4-dione (PubChem CID 12641807) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1,3-bis(2-aminoethyl)-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(2-aminoethyl)-6-methylpyrimidine-2,4-dione
PubChem CID12641807
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name1,3-bis(2-aminoethyl)-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCN)c(=O)n1CCN
InChIInChI=1S/C9H16N4O2/c1-7-6-8(14)13(5-3-11)9(15)12(7)4-2-10/h6H,2-5,10-11H2,1H3
InChIKeyNEHCLCRULZKEHN-UHFFFAOYSA-N
XLogP-1.76
TPSA96.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-aminoethyl)-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1,3-bis(2-aminoethyl)-6-methylpyrimidine-2,4-dione (CID 12641807) is 1,3-bis(2-aminoethyl)-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis(2-aminoethyl)-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis(2-aminoethyl)-6-methylpyrimidine-2,4-dione is Cc1cc(=O)n(CCN)c(=O)n1CCN.
What is the InChIKey of 1,3-bis(2-aminoethyl)-6-methylpyrimidine-2,4-dione?
The InChIKey is NEHCLCRULZKEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-7-6-8(14)13(5-3-11)9(15)12(7)4-2-10/h6H,2-5,10-11H2,1H3.
What are the key properties of 1,3-bis(2-aminoethyl)-6-methylpyrimidine-2,4-dione?
1,3-bis(2-aminoethyl)-6-methylpyrimidine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of -1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-aminoethyl)-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 12641807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).