2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine

C14H21N5O — CID 84589502

IUPAC2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine
SMILESCOCc1cc(Nc2cn[nH]c2C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H21N5O/c1-9-11(7-15-19-9)17-12-6-10(8-20-5)16-13(18-12)14(2,3)4/h6-7H,8H2,1-5H3,(H,15,19)(H,16,17,18)
InChIKeyQWILHRKAZNIKCY-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.70
Rot. Bonds4

About 2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine

2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine (PubChem CID 84589502) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine
PubChem CID84589502
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine
SMILESCOCc1cc(Nc2cn[nH]c2C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H21N5O/c1-9-11(7-15-19-9)17-12-6-10(8-20-5)16-13(18-12)14(2,3)4/h6-7H,8H2,1-5H3,(H,15,19)(H,16,17,18)
InChIKeyQWILHRKAZNIKCY-UHFFFAOYSA-N
XLogP2.70
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine (CID 84589502) is 2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine is COCc1cc(Nc2cn[nH]c2C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is QWILHRKAZNIKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9-11(7-15-19-9)17-12-6-10(8-20-5)16-13(18-12)14(2,3)4/h6-7H,8H2,1-5H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine?
2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 84589502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).