4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine

C15H14ClIN2O — CID 66292488

IUPAC4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine
SMILESCOc1cccc(Cc2nc(Cl)c(I)c(C3CC3)n2)c1
InChIInChI=1S/C15H14ClIN2O/c1-20-11-4-2-3-9(7-11)8-12-18-14(10-5-6-10)13(17)15(16)19-12/h2-4,7,10H,5-6,8H2,1H3
InChIKeyGYZGABIZBTXSMU-UHFFFAOYSA-N
MW400.65 g/mol
LogP4.21
Rot. Bonds4

About 4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine

4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine (PubChem CID 66292488) has the molecular formula C15H14ClIN2O and a molecular weight of 400.65 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine
PubChem CID66292488
Molecular FormulaC15H14ClIN2O
Molecular Weight400.65 g/mol
Exact Mass399.98
IUPAC Name4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine
SMILESCOc1cccc(Cc2nc(Cl)c(I)c(C3CC3)n2)c1
InChIInChI=1S/C15H14ClIN2O/c1-20-11-4-2-3-9(7-11)8-12-18-14(10-5-6-10)13(17)15(16)19-12/h2-4,7,10H,5-6,8H2,1H3
InChIKeyGYZGABIZBTXSMU-UHFFFAOYSA-N
XLogP4.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.65
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine
CID 18938913
6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 66302352
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine
CID 66293688
2-[(2-bromophenyl)methyl]-4-chloro-6-cyclopropyl-5-iodopyrimidine
CID 66293290
5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66304459
2-[(3-bromophenyl)methyl]-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 66293662
3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66031999
2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine
CID 115069993
4-chloro-5-iodo-2-[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine
CID 66293431
4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 135975552
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130393

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine (CID 66292488) is 4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine is COc1cccc(Cc2nc(Cl)c(I)c(C3CC3)n2)c1.
What is the InChIKey of 4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine?
The InChIKey is GYZGABIZBTXSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O/c1-20-11-4-2-3-9(7-11)8-12-18-14(10-5-6-10)13(17)15(16)19-12/h2-4,7,10H,5-6,8H2,1H3.
What are the key properties of 4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine?
4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine has a molecular weight of 400.65 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine is sourced from PubChem (CID 66292488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).