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

C16H25N5O — CID 133402332

IUPAC2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCOCc1cc(NC(C)c2cnn(C)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H25N5O/c1-11(12-8-17-21(5)9-12)18-14-7-13(10-22-6)19-15(20-14)16(2,3)4/h7-9,11H,10H2,1-6H3,(H,18,19,20)
InChIKeyCYTLZTPMXXYXFJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.83
Rot. Bonds5

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

2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 133402332) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID133402332
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCOCc1cc(NC(C)c2cnn(C)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H25N5O/c1-11(12-8-17-21(5)9-12)18-14-7-13(10-22-6)19-15(20-14)16(2,3)4/h7-9,11H,10H2,1-6H3,(H,18,19,20)
InChIKeyCYTLZTPMXXYXFJ-UHFFFAOYSA-N
XLogP2.83
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine (CID 133402332) is 2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine is COCc1cc(NC(C)c2cnn(C)c2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is CYTLZTPMXXYXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11(12-8-17-21(5)9-12)18-14-7-13(10-22-6)19-15(20-14)16(2,3)4/h7-9,11H,10H2,1-6H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 303.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 133402332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).