[2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-4-yl]methanamine

C11H19N3O — CID 116731045

IUPAC[2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-4-yl]methanamine
SMILESCOC(c1nccc(CN)n1)C(C)(C)C
InChIInChI=1S/C11H19N3O/c1-11(2,3)9(15-4)10-13-6-5-8(7-12)14-10/h5-6,9H,7,12H2,1-4H3
InChIKeyLLLLEVUTAYYTSN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.67
Rot. Bonds3

About [2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-4-yl]methanamine

[2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-4-yl]methanamine (PubChem CID 116731045) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-4-yl]methanamine
PubChem CID116731045
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-4-yl]methanamine
SMILESCOC(c1nccc(CN)n1)C(C)(C)C
InChIInChI=1S/C11H19N3O/c1-11(2,3)9(15-4)10-13-6-5-8(7-12)14-10/h5-6,9H,7,12H2,1-4H3
InChIKeyLLLLEVUTAYYTSN-UHFFFAOYSA-N
XLogP1.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine
CID 116778455
tert-butyl N-[4-(aminomethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 171568778
4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine
CID 116706142
4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 107541939
2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol
CID 116902221
[2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine
CID 130757978
[4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol
CID 114205053
(1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431456
[1-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 116703915
[2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine
CID 79089467
methyl 3-methyl-2-[4-(2-methylpropyl)pyrimidin-2-yl]butanoate
CID 116903287
[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 116704110

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-4-yl]methanamine (CID 116731045) is [2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-4-yl]methanamine is COC(c1nccc(CN)n1)C(C)(C)C.
What is the InChIKey of [2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-4-yl]methanamine?
The InChIKey is LLLLEVUTAYYTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)9(15-4)10-13-6-5-8(7-12)14-10/h5-6,9H,7,12H2,1-4H3.
What are the key properties of [2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-4-yl]methanamine?
[2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-4-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 116731045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).