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

C22H24N8O — CID 68869446

IUPAC6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CCCC2c2cc(-c3cccnc3C)no2)n1
InChIInChI=1S/C22H24N8O/c1-13-10-20(25-21-11-14(2)27-28-21)26-22(24-13)30-9-5-7-18(30)19-12-17(29-31-19)16-6-4-8-23-15(16)3/h4,6,8,10-12,18H,5,7,9H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyAYEIVVUVXKBVAI-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.26
Rot. Bonds5

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

6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 68869446) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID68869446
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CCCC2c2cc(-c3cccnc3C)no2)n1
InChIInChI=1S/C22H24N8O/c1-13-10-20(25-21-11-14(2)27-28-21)26-22(24-13)30-9-5-7-18(30)19-12-17(29-31-19)16-6-4-8-23-15(16)3/h4,6,8,10-12,18H,5,7,9H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyAYEIVVUVXKBVAI-UHFFFAOYSA-N
XLogP4.26
TPSA108.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 68869446) is 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine is Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCCC2c2cc(-c3cccnc3C)no2)n1.
What is the InChIKey of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is AYEIVVUVXKBVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-13-10-20(25-21-11-14(2)27-28-21)26-22(24-13)30-9-5-7-18(30)19-12-17(29-31-19)16-6-4-8-23-15(16)3/h4,6,8,10-12,18H,5,7,9H2,1-3H3,(H2,24,25,26,27,28).
What are the key properties of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 416.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 68869446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).