5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine

C10H15Cl2N3O2 — CID 106306445

IUPAC5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCCCOCCCl)n1
InChIInChI=1S/C10H15Cl2N3O2/c1-16-10-14-7-8(12)9(15-10)13-4-2-5-17-6-3-11/h7H,2-6H2,1H3,(H,13,14,15)
InChIKeyYXRPZPIORKBWBE-UHFFFAOYSA-N
MW280.15 g/mol
LogP2.20
Rot. Bonds8

About 5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine

5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine (PubChem CID 106306445) has the molecular formula C10H15Cl2N3O2 and a molecular weight of 280.15 g/mol. Its IUPAC name is 5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine
PubChem CID106306445
Molecular FormulaC10H15Cl2N3O2
Molecular Weight280.15 g/mol
Exact Mass279.05
IUPAC Name5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCCCOCCCl)n1
InChIInChI=1S/C10H15Cl2N3O2/c1-16-10-14-7-8(12)9(15-10)13-4-2-5-17-6-3-11/h7H,2-6H2,1H3,(H,13,14,15)
InChIKeyYXRPZPIORKBWBE-UHFFFAOYSA-N
XLogP2.20
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[[5-Chloro-2-[3-(2-hydroxyethoxy)propylamino]pyrimidin-4-yl]amino]propoxy]ethanol
CID 126809366
5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 136582978
3-[(2,5-Dichloropyrimidin-4-yl)amino]-2-fluoropropan-1-ol
CID 137407937
3-[(2,5-Dichloropyrimidin-4-yl)amino]-4-fluorobutan-1-ol
CID 137407971
2,5-dichloro-N-(2-fluoro-3-methylsulfanyloxypropyl)pyrimidin-4-amine
CID 137418289
[3-[(2,5-Dichloropyrimidin-4-yl)amino]-2-fluoropropyl] methanesulfonate
CID 137418290
2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine
CID 137418337
3-[(2,5-Dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol
CID 137418582
5-fluoro-2-methoxy-N-(1-methoxypropyl)pyrimidin-4-amine
CID 163778917
2-chloro-5-fluoro-N-(3-methoxypropyl)pyrimidin-4-amine
CID 56763782
2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 79076202
2-chloro-N-(2-ethoxyethyl)-5-fluoropyrimidin-4-amine
CID 79080426

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine (CID 106306445) is 5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine is COc1ncc(Cl)c(NCCCOCCCl)n1.
What is the InChIKey of 5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine?
The InChIKey is YXRPZPIORKBWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N3O2/c1-16-10-14-7-8(12)9(15-10)13-4-2-5-17-6-3-11/h7H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine?
5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine has a molecular weight of 280.15 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 106306445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).