2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine

C20H33N5O — CID 133477462

IUPAC2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NC(C)c2cn(C(C)(C)C)nc2C)nc(C(C)(C)C)n1
InChIInChI=1S/C20H33N5O/c1-13(16-11-25(20(6,7)8)24-14(16)2)21-17-10-15(12-26-9)22-18(23-17)19(3,4)5/h10-11,13H,12H2,1-9H3,(H,21,22,23)
InChIKeyRMFRQYAYAIXRQD-UHFFFAOYSA-N
MW359.52 g/mol
LogP4.35
Rot. Bonds5

About 2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine

2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 133477462) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID133477462
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NC(C)c2cn(C(C)(C)C)nc2C)nc(C(C)(C)C)n1
InChIInChI=1S/C20H33N5O/c1-13(16-11-25(20(6,7)8)24-14(16)2)21-17-10-15(12-26-9)22-18(23-17)19(3,4)5/h10-11,13H,12H2,1-9H3,(H,21,22,23)
InChIKeyRMFRQYAYAIXRQD-UHFFFAOYSA-N
XLogP4.35
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine (CID 133477462) is 2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(NC(C)c2cn(C(C)(C)C)nc2C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is RMFRQYAYAIXRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-13(16-11-25(20(6,7)8)24-14(16)2)21-17-10-15(12-26-9)22-18(23-17)19(3,4)5/h10-11,13H,12H2,1-9H3,(H,21,22,23).
What are the key properties of 2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 359.52 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 133477462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).