2,5-dichloro-N-methoxypyrimidin-4-amine

C5H5Cl2N3O — CID 135137744

IUPAC2,5-dichloro-N-methoxypyrimidin-4-amine
SMILESCONc1nc(Cl)ncc1Cl
InChIInChI=1S/C5H5Cl2N3O/c1-11-10-4-3(6)2-8-5(7)9-4/h2H,1H3,(H,8,9,10)
InChIKeyQXRXKTZGCBXJSD-UHFFFAOYSA-N
MW194.02 g/mol
LogP1.76
Rot. Bonds2

About 2,5-dichloro-N-methoxypyrimidin-4-amine

2,5-dichloro-N-methoxypyrimidin-4-amine (PubChem CID 135137744) has the molecular formula C5H5Cl2N3O and a molecular weight of 194.02 g/mol. Its IUPAC name is 2,5-dichloro-N-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-methoxypyrimidin-4-amine
PubChem CID135137744
Molecular FormulaC5H5Cl2N3O
Molecular Weight194.02 g/mol
Exact Mass192.98
IUPAC Name2,5-dichloro-N-methoxypyrimidin-4-amine
SMILESCONc1nc(Cl)ncc1Cl
InChIInChI=1S/C5H5Cl2N3O/c1-11-10-4-3(6)2-8-5(7)9-4/h2H,1H3,(H,8,9,10)
InChIKeyQXRXKTZGCBXJSD-UHFFFAOYSA-N
XLogP1.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.02
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 79632585
2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine
CID 79633123
methyl 2-[(2,5-dichloropyrimidin-4-yl)amino]propanoate
CID 79632906
2,5-dichloro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 79632221
2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 79633418
2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 162343021
N-(4-bromo-2,6-dimethylphenyl)-2,5-dichloropyrimidin-4-amine
CID 79632109
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 79632889
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine
CID 87330243
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
2,5-dichloro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 79632690

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methoxypyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-methoxypyrimidin-4-amine (CID 135137744) is 2,5-dichloro-N-methoxypyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-methoxypyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-methoxypyrimidin-4-amine is CONc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-methoxypyrimidin-4-amine?
The InChIKey is QXRXKTZGCBXJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N3O/c1-11-10-4-3(6)2-8-5(7)9-4/h2H,1H3,(H,8,9,10).
What are the key properties of 2,5-dichloro-N-methoxypyrimidin-4-amine?
2,5-dichloro-N-methoxypyrimidin-4-amine has a molecular weight of 194.02 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-methoxypyrimidin-4-amine is sourced from PubChem (CID 135137744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).