6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

C12H11ClIN3O — CID 118937016

IUPAC6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(Cl)nc(I)n2)cc1
InChIInChI=1S/C12H11ClIN3O/c1-18-9-4-2-8(3-5-9)7-15-11-6-10(13)16-12(14)17-11/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyWXGQUFSFDDYUOZ-UHFFFAOYSA-N
MW375.60 g/mol
LogP3.36
Rot. Bonds4

About 6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 118937016) has the molecular formula C12H11ClIN3O and a molecular weight of 375.60 g/mol. Its IUPAC name is 6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID118937016
Molecular FormulaC12H11ClIN3O
Molecular Weight375.60 g/mol
Exact Mass374.96
IUPAC Name6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(Cl)nc(I)n2)cc1
InChIInChI=1S/C12H11ClIN3O/c1-18-9-4-2-8(3-5-9)7-15-11-6-10(13)16-12(14)17-11/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyWXGQUFSFDDYUOZ-UHFFFAOYSA-N
XLogP3.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767088
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine
CID 82463263
6-chloro-N-ethyl-2-iodopyrimidin-4-amine
CID 147070006
5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
CID 134419132
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
N-benzyl-6-chloro-4-iodopyridin-2-amine
CID 87184942
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
1-[4-chloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]-5-ethylpyrazole-4-carbaldehyde
CID 18520504
3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde
CID 121245197
6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868056
4-N-(5-chloro-2-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872962

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (CID 118937016) is 6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccc(CNc2cc(Cl)nc(I)n2)cc1.
What is the InChIKey of 6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is WXGQUFSFDDYUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClIN3O/c1-18-9-4-2-8(3-5-9)7-15-11-6-10(13)16-12(14)17-11/h2-6H,7H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 375.60 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 118937016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).