6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

C15H16IN3O — CID 66302352

IUPAC6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(Cc2nc(N)c(I)c(C3CC3)n2)cc1
InChIInChI=1S/C15H16IN3O/c1-20-11-6-2-9(3-7-11)8-12-18-14(10-4-5-10)13(16)15(17)19-12/h2-3,6-7,10H,4-5,8H2,1H3,(H2,17,18,19)
InChIKeyQJJUCRBKFMUPGX-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.14
Rot. Bonds4

About 6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 66302352) has the molecular formula C15H16IN3O and a molecular weight of 381.22 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID66302352
Molecular FormulaC15H16IN3O
Molecular Weight381.22 g/mol
Exact Mass381.03
IUPAC Name6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(Cc2nc(N)c(I)c(C3CC3)n2)cc1
InChIInChI=1S/C15H16IN3O/c1-20-11-6-2-9(3-7-11)8-12-18-14(10-4-5-10)13(16)15(17)19-12/h2-3,6-7,10H,4-5,8H2,1H3,(H2,17,18,19)
InChIKeyQJJUCRBKFMUPGX-UHFFFAOYSA-N
XLogP3.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (CID 66302352) is 6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccc(Cc2nc(N)c(I)c(C3CC3)n2)cc1.
What is the InChIKey of 6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is QJJUCRBKFMUPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3O/c1-20-11-6-2-9(3-7-11)8-12-18-14(10-4-5-10)13(16)15(17)19-12/h2-3,6-7,10H,4-5,8H2,1H3,(H2,17,18,19).
What are the key properties of 6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 381.22 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66302352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).