4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine

C14H23N3 — CID 126593372

IUPAC4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine
SMILESC=CC(C(C)C)C(C)Cc1ncnc(C)c1N
InChIInChI=1S/C14H23N3/c1-6-12(9(2)3)10(4)7-13-14(15)11(5)16-8-17-13/h6,8-10,12H,1,7,15H2,2-5H3
InChIKeyLJMPEZSUBMYHAW-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.00
Rot. Bonds5

About 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine

4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine (PubChem CID 126593372) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine
PubChem CID126593372
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine
SMILESC=CC(C(C)C)C(C)Cc1ncnc(C)c1N
InChIInChI=1S/C14H23N3/c1-6-12(9(2)3)10(4)7-13-14(15)11(5)16-8-17-13/h6,8-10,12H,1,7,15H2,2-5H3
InChIKeyLJMPEZSUBMYHAW-UHFFFAOYSA-N
XLogP3.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine?
The IUPAC name of 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine (CID 126593372) is 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine.
What is the SMILES notation for 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine?
The canonical SMILES for 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine is C=CC(C(C)C)C(C)Cc1ncnc(C)c1N.
What is the InChIKey of 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine?
The InChIKey is LJMPEZSUBMYHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-6-12(9(2)3)10(4)7-13-14(15)11(5)16-8-17-13/h6,8-10,12H,1,7,15H2,2-5H3.
What are the key properties of 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine?
4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine has a molecular weight of 233.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine is sourced from PubChem (CID 126593372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).