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

C22H21N7O — CID 15978940

IUPAC6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2ccccn2)nc(N2CCC[C@H]2c2cc(-c3ccccn3)no2)n1
InChIInChI=1S/C22H21N7O/c1-15-13-21(26-20-9-3-5-11-24-20)27-22(25-15)29-12-6-8-18(29)19-14-17(28-30-19)16-7-2-4-10-23-16/h2-5,7,9-11,13-14,18H,6,8,12H2,1H3,(H,24,25,26,27)/t18-/m0/s1
InChIKeyXHBAYPTUIMEXEC-SFHVURJKSA-N
MW399.46 g/mol
LogP4.32
Rot. Bonds5

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

6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 15978940) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID15978940
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2ccccn2)nc(N2CCC[C@H]2c2cc(-c3ccccn3)no2)n1
InChIInChI=1S/C22H21N7O/c1-15-13-21(26-20-9-3-5-11-24-20)27-22(25-15)29-12-6-8-18(29)19-14-17(28-30-19)16-7-2-4-10-23-16/h2-5,7,9-11,13-14,18H,6,8,12H2,1H3,(H,24,25,26,27)/t18-/m0/s1
InChIKeyXHBAYPTUIMEXEC-SFHVURJKSA-N
XLogP4.32
TPSA92.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 15978940) is 6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is Cc1cc(Nc2ccccn2)nc(N2CCC[C@H]2c2cc(-c3ccccn3)no2)n1.
What is the InChIKey of 6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is XHBAYPTUIMEXEC-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21N7O/c1-15-13-21(26-20-9-3-5-11-24-20)27-22(25-15)29-12-6-8-18(29)19-14-17(28-30-19)16-7-2-4-10-23-16/h2-5,7,9-11,13-14,18H,6,8,12H2,1H3,(H,24,25,26,27)/t18-/m0/s1.
What are the key properties of 6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 399.46 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-pyridin-2-yl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 15978940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).