2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine

C10H16ClN3O — CID 82460808

IUPAC2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCOC)nc(Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-3-4-8-7-9(12-5-6-15-2)14-10(11)13-8/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyUKMFWKUDIVQWGR-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.14
Rot. Bonds6

About 2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine

2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine (PubChem CID 82460808) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine
PubChem CID82460808
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCOC)nc(Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-3-4-8-7-9(12-5-6-15-2)14-10(11)13-8/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyUKMFWKUDIVQWGR-UHFFFAOYSA-N
XLogP2.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine (CID 82460808) is 2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine is CCCc1cc(NCCOC)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine?
The InChIKey is UKMFWKUDIVQWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-3-4-8-7-9(12-5-6-15-2)14-10(11)13-8/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine?
2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine has a molecular weight of 229.71 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 82460808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).