6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine

C15H14Cl2IN3 — CID 66301756

IUPAC6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2ccc(Cl)cc2Cl)nc(C2CC2)c1I
InChIInChI=1S/C15H14Cl2IN3/c1-19-15-13(18)14(8-2-3-8)20-12(21-15)6-9-4-5-10(16)7-11(9)17/h4-5,7-8H,2-3,6H2,1H3,(H,19,20,21)
InChIKeyCSPXRUSCVIEWAP-UHFFFAOYSA-N
MW434.11 g/mol
LogP4.90
Rot. Bonds4

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

6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66301756) has the molecular formula C15H14Cl2IN3 and a molecular weight of 434.11 g/mol. Its IUPAC name is 6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66301756
Molecular FormulaC15H14Cl2IN3
Molecular Weight434.11 g/mol
Exact Mass432.96
IUPAC Name6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2ccc(Cl)cc2Cl)nc(C2CC2)c1I
InChIInChI=1S/C15H14Cl2IN3/c1-19-15-13(18)14(8-2-3-8)20-12(21-15)6-9-4-5-10(16)7-11(9)17/h4-5,7-8H,2-3,6H2,1H3,(H,19,20,21)
InChIKeyCSPXRUSCVIEWAP-UHFFFAOYSA-N
XLogP4.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.11
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine (CID 66301756) is 6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine is CNc1nc(Cc2ccc(Cl)cc2Cl)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is CSPXRUSCVIEWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2IN3/c1-19-15-13(18)14(8-2-3-8)20-12(21-15)6-9-4-5-10(16)7-11(9)17/h4-5,7-8H,2-3,6H2,1H3,(H,19,20,21).
What are the key properties of 6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine?
6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 434.11 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66301756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).