2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine

C15H15ClIN3 — CID 66302364

IUPAC2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2cccc(Cl)c2)nc(C2CC2)c1I
InChIInChI=1S/C15H15ClIN3/c1-18-15-13(17)14(10-5-6-10)19-12(20-15)8-9-3-2-4-11(16)7-9/h2-4,7,10H,5-6,8H2,1H3,(H,18,19,20)
InChIKeyWUWNBJONZVXDRL-UHFFFAOYSA-N
MW399.66 g/mol
LogP4.24
Rot. Bonds4

About 2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine

2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66302364) has the molecular formula C15H15ClIN3 and a molecular weight of 399.66 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66302364
Molecular FormulaC15H15ClIN3
Molecular Weight399.66 g/mol
Exact Mass399.00
IUPAC Name2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2cccc(Cl)c2)nc(C2CC2)c1I
InChIInChI=1S/C15H15ClIN3/c1-18-15-13(17)14(10-5-6-10)19-12(20-15)8-9-3-2-4-11(16)7-9/h2-4,7,10H,5-6,8H2,1H3,(H,18,19,20)
InChIKeyWUWNBJONZVXDRL-UHFFFAOYSA-N
XLogP4.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.66
LogP ≤ 54.24
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

2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305909
6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 66301756
6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66301547
4-chloro-6-cyclopropyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidine
CID 66292286
2-[(3-bromophenyl)methyl]-4-chloro-6-cyclopropyl-5-iodopyrimidine
CID 66293895
4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine
CID 66292488
2-[(3-chlorophenyl)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66299752
5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66302748
2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302370
2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62192554
2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66298678
4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine
CID 63611300

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine (CID 66302364) is 2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine is CNc1nc(Cc2cccc(Cl)c2)nc(C2CC2)c1I.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is WUWNBJONZVXDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClIN3/c1-18-15-13(17)14(10-5-6-10)19-12(20-15)8-9-3-2-4-11(16)7-9/h2-4,7,10H,5-6,8H2,1H3,(H,18,19,20).
What are the key properties of 2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine?
2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 399.66 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66302364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).