6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine

C22H24N8O2 — CID 11177961

IUPAC6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOCc1cc(Nc2cc(C)[nH]n2)nc(N2CCCC2c2cc(-c3cccnc3)no2)n1
InChIInChI=1S/C22H24N8O2/c1-14-9-21(28-27-14)25-20-10-16(13-31-2)24-22(26-20)30-8-4-6-18(30)19-11-17(29-32-19)15-5-3-7-23-12-15/h3,5,7,9-12,18H,4,6,8,13H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyBEGADQJNHQMZQA-UHFFFAOYSA-N
MW432.49 g/mol
LogP3.79
Rot. Bonds7

About 6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine

6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 11177961) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID11177961
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOCc1cc(Nc2cc(C)[nH]n2)nc(N2CCCC2c2cc(-c3cccnc3)no2)n1
InChIInChI=1S/C22H24N8O2/c1-14-9-21(28-27-14)25-20-10-16(13-31-2)24-22(26-20)30-8-4-6-18(30)19-11-17(29-32-19)15-5-3-7-23-12-15/h3,5,7,9-12,18H,4,6,8,13H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyBEGADQJNHQMZQA-UHFFFAOYSA-N
XLogP3.79
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 11177961) is 6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is COCc1cc(Nc2cc(C)[nH]n2)nc(N2CCCC2c2cc(-c3cccnc3)no2)n1.
What is the InChIKey of 6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is BEGADQJNHQMZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-14-9-21(28-27-14)25-20-10-16(13-31-2)24-22(26-20)30-8-4-6-18(30)19-11-17(29-32-19)15-5-3-7-23-12-15/h3,5,7,9-12,18H,4,6,8,13H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 432.49 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 11177961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).