6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine

C13H20ClN3 — CID 106197257

IUPAC6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCC=C(C)C)n1
InChIInChI=1S/C13H20ClN3/c1-5-6-11-16-12(14)10(4)13(17-11)15-8-7-9(2)3/h7H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyFKHDRLRQFMDWFR-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.77
Rot. Bonds5

About 6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine

6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine (PubChem CID 106197257) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine
PubChem CID106197257
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCC=C(C)C)n1
InChIInChI=1S/C13H20ClN3/c1-5-6-11-16-12(14)10(4)13(17-11)15-8-7-9(2)3/h7H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyFKHDRLRQFMDWFR-UHFFFAOYSA-N
XLogP3.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.77
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 6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine (CID 106197257) is 6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NCC=C(C)C)n1.
What is the InChIKey of 6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine?
The InChIKey is FKHDRLRQFMDWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-5-6-11-16-12(14)10(4)13(17-11)15-8-7-9(2)3/h7H,5-6,8H2,1-4H3,(H,15,16,17).
What are the key properties of 6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine?
6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 106197257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).