5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

C14H20IN5 — CID 66295357

IUPAC5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCNc1nc(-c2c(C)nn(C)c2C)nc(C)c1I
InChIInChI=1S/C14H20IN5/c1-6-7-16-14-12(15)9(3)17-13(18-14)11-8(2)19-20(5)10(11)4/h6-7H2,1-5H3,(H,16,17,18)
InChIKeyUQBKQQSLCUCYFT-UHFFFAOYSA-N
MW385.25 g/mol
LogP3.23
Rot. Bonds4

About 5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 66295357) has the molecular formula C14H20IN5 and a molecular weight of 385.25 g/mol. Its IUPAC name is 5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID66295357
Molecular FormulaC14H20IN5
Molecular Weight385.25 g/mol
Exact Mass385.08
IUPAC Name5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCNc1nc(-c2c(C)nn(C)c2C)nc(C)c1I
InChIInChI=1S/C14H20IN5/c1-6-7-16-14-12(15)9(3)17-13(18-14)11-8(2)19-20(5)10(11)4/h6-7H2,1-5H3,(H,16,17,18)
InChIKeyUQBKQQSLCUCYFT-UHFFFAOYSA-N
XLogP3.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (CID 66295357) is 5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is CCCNc1nc(-c2c(C)nn(C)c2C)nc(C)c1I.
What is the InChIKey of 5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is UQBKQQSLCUCYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN5/c1-6-7-16-14-12(15)9(3)17-13(18-14)11-8(2)19-20(5)10(11)4/h6-7H2,1-5H3,(H,16,17,18).
What are the key properties of 5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 385.25 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66295357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).