2,5,6-trichloro-N-methylpyrimidin-4-amine

C5H4Cl3N3 — CID 20705355

IUPAC2,5,6-trichloro-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cl)nc(Cl)c1Cl
InChIInChI=1S/C5H4Cl3N3/c1-9-4-2(6)3(7)10-5(8)11-4/h1H3,(H,9,10,11)
InChIKeyNVDNFDQMQJYVAB-UHFFFAOYSA-N
MW212.47 g/mol
LogP2.48
Rot. Bonds1

About 2,5,6-trichloro-N-methylpyrimidin-4-amine

2,5,6-trichloro-N-methylpyrimidin-4-amine (PubChem CID 20705355) has the molecular formula C5H4Cl3N3 and a molecular weight of 212.47 g/mol. Its IUPAC name is 2,5,6-trichloro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trichloro-N-methylpyrimidin-4-amine
PubChem CID20705355
Molecular FormulaC5H4Cl3N3
Molecular Weight212.47 g/mol
Exact Mass210.95
IUPAC Name2,5,6-trichloro-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cl)nc(Cl)c1Cl
InChIInChI=1S/C5H4Cl3N3/c1-9-4-2(6)3(7)10-5(8)11-4/h1H3,(H,9,10,11)
InChIKeyNVDNFDQMQJYVAB-UHFFFAOYSA-N
XLogP2.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 231054
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CID 15567740
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CID 345630
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CID 2276879
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CID 15563644
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CID 345635
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CID 249454
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CID 91758969
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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trichloro-N-methylpyrimidin-4-amine?
The IUPAC name of 2,5,6-trichloro-N-methylpyrimidin-4-amine (CID 20705355) is 2,5,6-trichloro-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trichloro-N-methylpyrimidin-4-amine?
The canonical SMILES for 2,5,6-trichloro-N-methylpyrimidin-4-amine is CNc1nc(Cl)nc(Cl)c1Cl.
What is the InChIKey of 2,5,6-trichloro-N-methylpyrimidin-4-amine?
The InChIKey is NVDNFDQMQJYVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl3N3/c1-9-4-2(6)3(7)10-5(8)11-4/h1H3,(H,9,10,11).
What are the key properties of 2,5,6-trichloro-N-methylpyrimidin-4-amine?
2,5,6-trichloro-N-methylpyrimidin-4-amine has a molecular weight of 212.47 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trichloro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 20705355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).