5-amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one

C10H16ClN3O2 — CID 106455820

IUPAC5-amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
SMILESCC(C)COCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H16ClN3O2/c1-7(2)5-16-4-3-14-6-13-9(11)8(12)10(14)15/h6-7H,3-5,12H2,1-2H3
InChIKeyPSFJPRQPJBSMGG-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.15
Rot. Bonds5

About 5-amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one

5-amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one (PubChem CID 106455820) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
PubChem CID106455820
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name5-amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
SMILESCC(C)COCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H16ClN3O2/c1-7(2)5-16-4-3-14-6-13-9(11)8(12)10(14)15/h6-7H,3-5,12H2,1-2H3
InChIKeyPSFJPRQPJBSMGG-UHFFFAOYSA-N
XLogP1.15
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-6-chloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114582847
5-Amino-6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182131
5-Amino-6-chloro-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411726
5-Amino-6-chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455821
5-Amino-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 113604265
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 113604288
5-Amino-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
CID 114582454
5-Amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one
CID 114582456
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114582478
5-Amino-3-(2-butoxyethyl)-6-chloropyrimidin-4-one
CID 114582486
5-Amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one
CID 114582509
5-Amino-6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
CID 114582529

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one (CID 106455820) is 5-amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one is CC(C)COCCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
The InChIKey is PSFJPRQPJBSMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-7(2)5-16-4-3-14-6-13-9(11)8(12)10(14)15/h6-7H,3-5,12H2,1-2H3.
What are the key properties of 5-amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
5-amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one has a molecular weight of 245.71 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 106455820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).