5-[bis(2-hydroxyethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione

C9H15N3O4 — CID 806135

IUPAC5-[bis(2-hydroxyethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1N(CCO)CCO
InChIInChI=1S/C9H15N3O4/c1-6-7(8(15)11-9(16)10-6)12(2-4-13)3-5-14/h13-14H,2-5H2,1H3,(H2,10,11,15,16)
InChIKeyJMMMNFUMYXAAFY-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.84
Rot. Bonds5

About 5-[bis(2-hydroxyethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione

5-[bis(2-hydroxyethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 806135) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-[bis(2-hydroxyethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[bis(2-hydroxyethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID806135
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name5-[bis(2-hydroxyethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1N(CCO)CCO
InChIInChI=1S/C9H15N3O4/c1-6-7(8(15)11-9(16)10-6)12(2-4-13)3-5-14/h13-14H,2-5H2,1H3,(H2,10,11,15,16)
InChIKeyJMMMNFUMYXAAFY-UHFFFAOYSA-N
XLogP-1.84
TPSA109.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 107484274
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Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-hydroxyethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[bis(2-hydroxyethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione (CID 806135) is 5-[bis(2-hydroxyethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[bis(2-hydroxyethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[bis(2-hydroxyethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1N(CCO)CCO.
What is the InChIKey of 5-[bis(2-hydroxyethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is JMMMNFUMYXAAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-6-7(8(15)11-9(16)10-6)12(2-4-13)3-5-14/h13-14H,2-5H2,1H3,(H2,10,11,15,16).
What are the key properties of 5-[bis(2-hydroxyethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione?
5-[bis(2-hydroxyethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 229.24 g/mol, XLogP of -1.84, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-hydroxyethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 806135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).