6-chloro-N-(3-methoxypropyl)-2,5-dimethylpyrimidin-4-amine

C10H16ClN3O — CID 63728404

IUPAC6-chloro-N-(3-methoxypropyl)-2,5-dimethylpyrimidin-4-amine
SMILESCOCCCNc1nc(C)nc(Cl)c1C
InChIInChI=1S/C10H16ClN3O/c1-7-9(11)13-8(2)14-10(7)12-5-4-6-15-3/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyXSFCERQLHZSOOP-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.20
Rot. Bonds5

About 6-chloro-N-(3-methoxypropyl)-2,5-dimethylpyrimidin-4-amine

6-chloro-N-(3-methoxypropyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 63728404) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 6-chloro-N-(3-methoxypropyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methoxypropyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID63728404
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name6-chloro-N-(3-methoxypropyl)-2,5-dimethylpyrimidin-4-amine
SMILESCOCCCNc1nc(C)nc(Cl)c1C
InChIInChI=1S/C10H16ClN3O/c1-7-9(11)13-8(2)14-10(7)12-5-4-6-15-3/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyXSFCERQLHZSOOP-UHFFFAOYSA-N
XLogP2.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.20
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 6-chloro-N-(3-methoxypropyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-methoxypropyl)-2,5-dimethylpyrimidin-4-amine (CID 63728404) is 6-chloro-N-(3-methoxypropyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-methoxypropyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-methoxypropyl)-2,5-dimethylpyrimidin-4-amine is COCCCNc1nc(C)nc(Cl)c1C.
What is the InChIKey of 6-chloro-N-(3-methoxypropyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is XSFCERQLHZSOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-7-9(11)13-8(2)14-10(7)12-5-4-6-15-3/h4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 6-chloro-N-(3-methoxypropyl)-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-(3-methoxypropyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 229.71 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methoxypropyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63728404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).