6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine

C13H18IN5 — CID 103573035

IUPAC6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCn1cc(-c2nc(CC)c(I)c(NC)n2)cn1
InChIInChI=1S/C13H18IN5/c1-4-6-19-8-9(7-16-19)12-17-10(5-2)11(14)13(15-3)18-12/h7-8H,4-6H2,1-3H3,(H,15,17,18)
InChIKeyXPIZCUOXJPLDBQ-UHFFFAOYSA-N
MW371.23 g/mol
LogP2.96
Rot. Bonds5

About 6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine

6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 103573035) has the molecular formula C13H18IN5 and a molecular weight of 371.23 g/mol. Its IUPAC name is 6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID103573035
Molecular FormulaC13H18IN5
Molecular Weight371.23 g/mol
Exact Mass371.06
IUPAC Name6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCn1cc(-c2nc(CC)c(I)c(NC)n2)cn1
InChIInChI=1S/C13H18IN5/c1-4-6-19-8-9(7-16-19)12-17-10(5-2)11(14)13(15-3)18-12/h7-8H,4-6H2,1-3H3,(H,15,17,18)
InChIKeyXPIZCUOXJPLDBQ-UHFFFAOYSA-N
XLogP2.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573036
N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573026
N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 103570534
6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine
CID 114938393
6-ethyl-2-(2-ethylphenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66297157
4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572472
6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 66298495
5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573052
[2-(1-propylpyrazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 103573096
6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301253
4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572446
2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80977826

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine (CID 103573035) is 6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine is CCCn1cc(-c2nc(CC)c(I)c(NC)n2)cn1.
What is the InChIKey of 6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is XPIZCUOXJPLDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN5/c1-4-6-19-8-9(7-16-19)12-17-10(5-2)11(14)13(15-3)18-12/h7-8H,4-6H2,1-3H3,(H,15,17,18).
What are the key properties of 6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 371.23 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 103573035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).