2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine

C11H19N3 — CID 130484072

IUPAC2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CCC(C)(C)C)n1
InChIInChI=1S/C11H19N3/c1-8-7-9(12)14-10(13-8)5-6-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyRCORLMBRXFIGNM-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.35
Rot. Bonds2

About 2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine

2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine (PubChem CID 130484072) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine
PubChem CID130484072
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CCC(C)(C)C)n1
InChIInChI=1S/C11H19N3/c1-8-7-9(12)14-10(13-8)5-6-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyRCORLMBRXFIGNM-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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Related Compounds

2-(chloromethyl)-6-methylpyrimidin-4-amine
CID 14693651
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 80654802
2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 82296139
2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine
CID 130494265
2-propylpyrimidine-4,6-diamine
CID 67304918
2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 80654966
6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine
CID 107756585
2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine
CID 80657248
4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol
CID 79176670
6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine
CID 80653859
6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine
CID 80503710
6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine
CID 80654504

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine (CID 130484072) is 2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine is Cc1cc(N)nc(CCC(C)(C)C)n1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine?
The InChIKey is RCORLMBRXFIGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-7-9(12)14-10(13-8)5-6-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,13,14).
What are the key properties of 2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine?
2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-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 2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 130484072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).