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

C22H26N10O — CID 11950787

IUPAC2-[(2S)-2-[3-[3-(ethylamino)pyrazin-2-yl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCCNc1nccnc1-c1cc([C@@H]2CCCN2c2nc(C)cc(Nc3cc(C)[nH]n3)n2)on1
InChIInChI=1S/C22H26N10O/c1-4-23-21-20(24-7-8-25-21)15-12-17(33-31-15)16-6-5-9-32(16)22-26-13(2)10-18(28-22)27-19-11-14(3)29-30-19/h7-8,10-12,16H,4-6,9H2,1-3H3,(H,23,25)(H2,26,27,28,29,30)/t16-/m0/s1
InChIKeyIBRQFOSZHZOHLH-INIZCTEOSA-N
MW446.52 g/mol
LogP3.78
Rot. Bonds7

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

2-[(2S)-2-[3-[3-(ethylamino)pyrazin-2-yl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 11950787) has the molecular formula C22H26N10O and a molecular weight of 446.52 g/mol. Its IUPAC name is 2-[(2S)-2-[3-[3-(ethylamino)pyrazin-2-yl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2S)-2-[3-[3-(ethylamino)pyrazin-2-yl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID11950787
Molecular FormulaC22H26N10O
Molecular Weight446.52 g/mol
Exact Mass446.23
IUPAC Name2-[(2S)-2-[3-[3-(ethylamino)pyrazin-2-yl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCCNc1nccnc1-c1cc([C@@H]2CCCN2c2nc(C)cc(Nc3cc(C)[nH]n3)n2)on1
InChIInChI=1S/C22H26N10O/c1-4-23-21-20(24-7-8-25-21)15-12-17(33-31-15)16-6-5-9-32(16)22-26-13(2)10-18(28-22)27-19-11-14(3)29-30-19/h7-8,10-12,16H,4-6,9H2,1-3H3,(H,23,25)(H2,26,27,28,29,30)/t16-/m0/s1
InChIKeyIBRQFOSZHZOHLH-INIZCTEOSA-N
XLogP3.78
TPSA133.57 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[3-[3-(ethylamino)pyrazin-2-yl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-[(2S)-2-[3-[3-(ethylamino)pyrazin-2-yl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 11950787) is 2-[(2S)-2-[3-[3-(ethylamino)pyrazin-2-yl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(2S)-2-[3-[3-(ethylamino)pyrazin-2-yl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[(2S)-2-[3-[3-(ethylamino)pyrazin-2-yl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is CCNc1nccnc1-c1cc([C@@H]2CCCN2c2nc(C)cc(Nc3cc(C)[nH]n3)n2)on1.
What is the InChIKey of 2-[(2S)-2-[3-[3-(ethylamino)pyrazin-2-yl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is IBRQFOSZHZOHLH-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N10O/c1-4-23-21-20(24-7-8-25-21)15-12-17(33-31-15)16-6-5-9-32(16)22-26-13(2)10-18(28-22)27-19-11-14(3)29-30-19/h7-8,10-12,16H,4-6,9H2,1-3H3,(H,23,25)(H2,26,27,28,29,30)/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-[3-[3-(ethylamino)pyrazin-2-yl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-[(2S)-2-[3-[3-(ethylamino)pyrazin-2-yl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 446.52 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[3-[3-(ethylamino)pyrazin-2-yl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 11950787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).