2-chloro-5-(ethoxymethyl)pyrimidin-4-amine

C7H10ClN3O — CID 170969920

IUPAC2-chloro-5-(ethoxymethyl)pyrimidin-4-amine
SMILESCCOCc1cnc(Cl)nc1N
InChIInChI=1S/C7H10ClN3O/c1-2-12-4-5-3-10-7(8)11-6(5)9/h3H,2,4H2,1H3,(H2,9,10,11)
InChIKeyTVHMNORWUTZVEP-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.25
Rot. Bonds3

About 2-chloro-5-(ethoxymethyl)pyrimidin-4-amine

2-chloro-5-(ethoxymethyl)pyrimidin-4-amine (PubChem CID 170969920) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-chloro-5-(ethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-(ethoxymethyl)pyrimidin-4-amine
PubChem CID170969920
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name2-chloro-5-(ethoxymethyl)pyrimidin-4-amine
SMILESCCOCc1cnc(Cl)nc1N
InChIInChI=1S/C7H10ClN3O/c1-2-12-4-5-3-10-7(8)11-6(5)9/h3H,2,4H2,1H3,(H2,9,10,11)
InChIKeyTVHMNORWUTZVEP-UHFFFAOYSA-N
XLogP1.25
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(ethoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-(ethoxymethyl)pyrimidin-4-amine (CID 170969920) is 2-chloro-5-(ethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-(ethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-(ethoxymethyl)pyrimidin-4-amine is CCOCc1cnc(Cl)nc1N.
What is the InChIKey of 2-chloro-5-(ethoxymethyl)pyrimidin-4-amine?
The InChIKey is TVHMNORWUTZVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-2-12-4-5-3-10-7(8)11-6(5)9/h3H,2,4H2,1H3,(H2,9,10,11).
What are the key properties of 2-chloro-5-(ethoxymethyl)pyrimidin-4-amine?
2-chloro-5-(ethoxymethyl)pyrimidin-4-amine has a molecular weight of 187.63 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(ethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 170969920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).