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

C22H25N9O — CID 68867008

IUPAC6-methyl-2-[2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCNc1ncccc1-c1cc(C2CCCN2c2nc(C)cc(Nc3cc(C)[nH]n3)n2)on1
InChIInChI=1S/C22H25N9O/c1-13-10-19(26-20-11-14(2)28-29-20)27-22(25-13)31-9-5-7-17(31)18-12-16(30-32-18)15-6-4-8-24-21(15)23-3/h4,6,8,10-12,17H,5,7,9H2,1-3H3,(H,23,24)(H2,25,26,27,28,29)
InChIKeyLXEKPGGWXKPTDZ-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.99
Rot. Bonds6

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

6-methyl-2-[2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 68867008) has the molecular formula C22H25N9O and a molecular weight of 431.50 g/mol. Its IUPAC name is 6-methyl-2-[2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID68867008
Molecular FormulaC22H25N9O
Molecular Weight431.50 g/mol
Exact Mass431.22
IUPAC Name6-methyl-2-[2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCNc1ncccc1-c1cc(C2CCCN2c2nc(C)cc(Nc3cc(C)[nH]n3)n2)on1
InChIInChI=1S/C22H25N9O/c1-13-10-19(26-20-11-14(2)28-29-20)27-22(25-13)31-9-5-7-17(31)18-12-16(30-32-18)15-6-4-8-24-21(15)23-3/h4,6,8,10-12,17H,5,7,9H2,1-3H3,(H,23,24)(H2,25,26,27,28,29)
InChIKeyLXEKPGGWXKPTDZ-UHFFFAOYSA-N
XLogP3.99
TPSA120.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 68867008) is 6-methyl-2-[2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is CNc1ncccc1-c1cc(C2CCCN2c2nc(C)cc(Nc3cc(C)[nH]n3)n2)on1.
What is the InChIKey of 6-methyl-2-[2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is LXEKPGGWXKPTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O/c1-13-10-19(26-20-11-14(2)28-29-20)27-22(25-13)31-9-5-7-17(31)18-12-16(30-32-18)15-6-4-8-24-21(15)23-3/h4,6,8,10-12,17H,5,7,9H2,1-3H3,(H,23,24)(H2,25,26,27,28,29).
What are the key properties of 6-methyl-2-[2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
6-methyl-2-[2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 431.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 68867008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).