N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine

C15H18IN3O — CID 66295324

IUPACN-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(OC(C)C)c2)ncc1I
InChIInChI=1S/C15H18IN3O/c1-4-17-15-13(16)9-18-14(19-15)11-6-5-7-12(8-11)20-10(2)3/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyCYKAOUJHXXEUDE-UHFFFAOYSA-N
MW383.23 g/mol
LogP3.97
Rot. Bonds5

About N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine

N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 66295324) has the molecular formula C15H18IN3O and a molecular weight of 383.23 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID66295324
Molecular FormulaC15H18IN3O
Molecular Weight383.23 g/mol
Exact Mass383.05
IUPAC NameN-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(OC(C)C)c2)ncc1I
InChIInChI=1S/C15H18IN3O/c1-4-17-15-13(16)9-18-14(19-15)11-6-5-7-12(8-11)20-10(2)3/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyCYKAOUJHXXEUDE-UHFFFAOYSA-N
XLogP3.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 53.97
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 N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 66295324) is N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine is CCNc1nc(-c2cccc(OC(C)C)c2)ncc1I.
What is the InChIKey of N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is CYKAOUJHXXEUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O/c1-4-17-15-13(16)9-18-14(19-15)11-6-5-7-12(8-11)20-10(2)3/h5-10H,4H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine?
N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 383.23 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66295324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).