6-chloro-N-ethyl-2-iodopyrimidin-4-amine

C6H7ClIN3 — CID 147070006

IUPAC6-chloro-N-ethyl-2-iodopyrimidin-4-amine
SMILESCCNc1cc(Cl)nc(I)n1
InChIInChI=1S/C6H7ClIN3/c1-2-9-5-3-4(7)10-6(8)11-5/h3H,2H2,1H3,(H,9,10,11)
InChIKeyBEVXXHDGKCTYRI-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.17
Rot. Bonds2

About 6-chloro-N-ethyl-2-iodopyrimidin-4-amine

6-chloro-N-ethyl-2-iodopyrimidin-4-amine (PubChem CID 147070006) has the molecular formula C6H7ClIN3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 6-chloro-N-ethyl-2-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-2-iodopyrimidin-4-amine
PubChem CID147070006
Molecular FormulaC6H7ClIN3
Molecular Weight283.50 g/mol
Exact Mass282.94
IUPAC Name6-chloro-N-ethyl-2-iodopyrimidin-4-amine
SMILESCCNc1cc(Cl)nc(I)n1
InChIInChI=1S/C6H7ClIN3/c1-2-9-5-3-4(7)10-6(8)11-5/h3H,2H2,1H3,(H,9,10,11)
InChIKeyBEVXXHDGKCTYRI-UHFFFAOYSA-N
XLogP2.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 118937016
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine
CID 131244442
2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
CID 62165976
6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine
CID 103463549
N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62181788
[2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66369750
2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 62167550
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
6,7-dichloro-N-ethylquinoxalin-2-amine
CID 133462663

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-2-iodopyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-2-iodopyrimidin-4-amine (CID 147070006) is 6-chloro-N-ethyl-2-iodopyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-2-iodopyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-2-iodopyrimidin-4-amine is CCNc1cc(Cl)nc(I)n1.
What is the InChIKey of 6-chloro-N-ethyl-2-iodopyrimidin-4-amine?
The InChIKey is BEVXXHDGKCTYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClIN3/c1-2-9-5-3-4(7)10-6(8)11-5/h3H,2H2,1H3,(H,9,10,11).
What are the key properties of 6-chloro-N-ethyl-2-iodopyrimidin-4-amine?
6-chloro-N-ethyl-2-iodopyrimidin-4-amine has a molecular weight of 283.50 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-2-iodopyrimidin-4-amine is sourced from PubChem (CID 147070006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).