5-chloro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one

C10H17ClN4O2 — CID 136975512

IUPAC5-chloro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
SMILESCOCCN(C)CCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O2/c1-15(5-6-17-2)4-3-12-9-8(11)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,16)
InChIKeyVYAGAXBXVYTFMG-UHFFFAOYSA-N
MW260.72 g/mol
LogP0.41
Rot. Bonds7

About 5-chloro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one

5-chloro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one (PubChem CID 136975512) has the molecular formula C10H17ClN4O2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 5-chloro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
PubChem CID136975512
Molecular FormulaC10H17ClN4O2
Molecular Weight260.72 g/mol
Exact Mass260.10
IUPAC Name5-chloro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
SMILESCOCCN(C)CCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O2/c1-15(5-6-17-2)4-3-12-9-8(11)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,16)
InChIKeyVYAGAXBXVYTFMG-UHFFFAOYSA-N
XLogP0.41
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one (CID 136975512) is 5-chloro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one is COCCN(C)CCNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one?
The InChIKey is VYAGAXBXVYTFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2/c1-15(5-6-17-2)4-3-12-9-8(11)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-chloro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one?
5-chloro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one has a molecular weight of 260.72 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).