4-amino-5-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one

C10H18N4O3 — CID 135530274

IUPAC4-amino-5-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(CN(CCO)CCO)c(=O)[nH]1
InChIInChI=1S/C10H18N4O3/c1-7-12-9(11)8(10(17)13-7)6-14(2-4-15)3-5-16/h15-16H,2-6H2,1H3,(H3,11,12,13,17)
InChIKeyKEVQQCDXTGYSPU-UHFFFAOYSA-N
MW242.28 g/mol
LogP-1.55
Rot. Bonds6

About 4-amino-5-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one

4-amino-5-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 135530274) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-amino-5-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID135530274
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name4-amino-5-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(CN(CCO)CCO)c(=O)[nH]1
InChIInChI=1S/C10H18N4O3/c1-7-12-9(11)8(10(17)13-7)6-14(2-4-15)3-5-16/h15-16H,2-6H2,1H3,(H3,11,12,13,17)
InChIKeyKEVQQCDXTGYSPU-UHFFFAOYSA-N
XLogP-1.55
TPSA115.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one (CID 135530274) is 4-amino-5-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N)c(CN(CCO)CCO)c(=O)[nH]1.
What is the InChIKey of 4-amino-5-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KEVQQCDXTGYSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-7-12-9(11)8(10(17)13-7)6-14(2-4-15)3-5-16/h15-16H,2-6H2,1H3,(H3,11,12,13,17).
What are the key properties of 4-amino-5-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one?
4-amino-5-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 242.28 g/mol, XLogP of -1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135530274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).