4-(3,3-dimethylbutyl)-5-methylpyrimidin-2-amine

C11H19N3 — CID 122516777

IUPAC4-(3,3-dimethylbutyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1CCC(C)(C)C
InChIInChI=1S/C11H19N3/c1-8-7-13-10(12)14-9(8)5-6-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyMMKVIBJSSUYRDP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.35
Rot. Bonds2

About 4-(3,3-dimethylbutyl)-5-methylpyrimidin-2-amine

4-(3,3-dimethylbutyl)-5-methylpyrimidin-2-amine (PubChem CID 122516777) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)-5-methylpyrimidin-2-amine
PubChem CID122516777
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-(3,3-dimethylbutyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1CCC(C)(C)C
InChIInChI=1S/C11H19N3/c1-8-7-13-10(12)14-9(8)5-6-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyMMKVIBJSSUYRDP-UHFFFAOYSA-N
XLogP2.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(3,3-dimethylbutyl)-5-methylpyrimidin-2-amine (CID 122516777) is 4-(3,3-dimethylbutyl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,3-dimethylbutyl)-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3,3-dimethylbutyl)-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1CCC(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutyl)-5-methylpyrimidin-2-amine?
The InChIKey is MMKVIBJSSUYRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-7-13-10(12)14-9(8)5-6-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,13,14).
What are the key properties of 4-(3,3-dimethylbutyl)-5-methylpyrimidin-2-amine?
4-(3,3-dimethylbutyl)-5-methylpyrimidin-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 122516777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).