2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine

C9H13Cl2N3O — CID 79633123

IUPAC2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine
SMILESCOCCCCNc1nc(Cl)ncc1Cl
InChIInChI=1S/C9H13Cl2N3O/c1-15-5-3-2-4-12-8-7(10)6-13-9(11)14-8/h6H,2-5H2,1H3,(H,12,13,14)
InChIKeyFWPZSJQEHQACNZ-UHFFFAOYSA-N
MW250.13 g/mol
LogP2.62
Rot. Bonds6

About 2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine

2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine (PubChem CID 79633123) has the molecular formula C9H13Cl2N3O and a molecular weight of 250.13 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine
PubChem CID79633123
Molecular FormulaC9H13Cl2N3O
Molecular Weight250.13 g/mol
Exact Mass249.04
IUPAC Name2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine
SMILESCOCCCCNc1nc(Cl)ncc1Cl
InChIInChI=1S/C9H13Cl2N3O/c1-15-5-3-2-4-12-8-7(10)6-13-9(11)14-8/h6H,2-5H2,1H3,(H,12,13,14)
InChIKeyFWPZSJQEHQACNZ-UHFFFAOYSA-N
XLogP2.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 52.62
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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Related Compounds

2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 79633418
3,5-dichloro-6-hydrazinyl-N-(4-methoxybutyl)pyridin-2-amine
CID 102761891
2-chloro-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 79080884
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 79632889
3-[(2,5-dichloropyrimidin-4-yl)amino]propane-1-sulfonamide
CID 79632714
2,5-dichloro-N-methoxypyrimidin-4-amine
CID 135137744
2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 79632585
5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80765635
2,5-dichloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79632100
3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine
CID 102759816
5-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107302432
2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240010

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine (CID 79633123) is 2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine is COCCCCNc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine?
The InChIKey is FWPZSJQEHQACNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3O/c1-15-5-3-2-4-12-8-7(10)6-13-9(11)14-8/h6H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine?
2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine has a molecular weight of 250.13 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine is sourced from PubChem (CID 79633123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).